data_2d9e_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 2d9e _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 ' 6' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 9' ' ' LEU . 12.1 p . . . . . 0 CA--C 1.526 0.045 0 CA-C-O 120.93 0.395 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -40.46 -46.2 3.53 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.543 ' CE2' ' O ' ' A' ' 63' ' ' LEU . 82.2 t80 -59.03 -37.74 77.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.906 0.384 . . . . 0.0 110.895 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.635 ' CD1' ' CE2' ' A' ' 60' ' ' TYR . 55.2 mt -62.72 -44.68 95.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.9 mp -61.06 -49.58 84.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 19.6 tp -50.38 -43.4 54.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.2 mt -64.46 -55.29 21.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 -50.97 -40.7 58.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.823 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' ' 15' ' ' THR . 0.2 OUTLIER -70.27 -38.26 75.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.415 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 24.3 m -65.36 -56.93 9.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.138 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 26.2 tp -40.05 -45.83 2.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -55.84 -51.01 69.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.613 HE22 ' NE2' ' A' ' 106' ' ' GLN . 39.8 mt-30 -48.0 -45.7 31.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.2 mt -57.97 -46.23 85.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -53.87 -42.07 68.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -46.05 -42.68 13.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -62.17 -41.82 98.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -78.3 90.77 4.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.796 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 52.4 p -82.72 -21.68 34.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.65 -16.78 59.51 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 61.39 38.04 16.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.819 0.342 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.6 mt -73.39 -32.36 36.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.557 ' CE1' HD12 ' A' ' 96' ' ' LEU . 3.5 m-85 -103.87 -13.05 16.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -50.59 -29.05 9.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.917 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -124.72 152.09 68.84 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.661 0.743 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 137.03 34.56 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.695 2.264 . . . . 0.0 112.293 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.2 t -62.36 130.51 93.25 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.7 0.762 . . . . 0.0 111.068 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 142.11 47.06 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.731 2.287 . . . . 0.0 112.318 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.1 mt -84.69 -27.41 27.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.4 t -52.53 -37.78 58.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -91.74 -26.14 18.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.0 t -122.76 84.62 49.44 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.556 0.693 . . . . 0.0 111.067 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -21.8 32.98 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.712 2.275 . . . . 0.0 112.378 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -109.29 26.72 10.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -55.56 -61.87 2.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.436 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 42.7 mt -63.39 -36.96 85.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.947 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -42.61 -23.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.423 ' N ' ' O ' ' A' ' 41' ' ' LEU . 50.4 m-70 -115.75 -25.34 7.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.2 mm -107.81 120.15 58.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 40.8 mmtt -80.2 -39.08 29.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.911 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -131.93 86.83 46.5 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.567 0.699 . . . . 0.0 110.921 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.436 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 54.0 Cg_endo -69.8 116.9 4.78 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.592 2.195 . . . . 0.0 112.404 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 33.3 tpp -123.56 149.62 45.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.42 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 0.3 OUTLIER -149.79 170.99 17.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -61.35 -37.62 83.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -73.8 -44.27 56.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.7 m -61.97 -55.71 26.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 7.4 ptm -50.59 -37.85 42.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.4 ' HE2' ' CG ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -57.87 -54.02 51.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 179.885 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -50.05 -53.98 23.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -56.09 -42.28 76.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.8 tt -62.59 -43.35 99.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.4 ' CG ' ' HE2' ' A' ' 54' ' ' LYS . 28.3 mm-40 -69.07 -16.57 63.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.62 10.12 36.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.635 ' CE2' ' CD1' ' A' ' 9' ' ' LEU . 5.3 m-85 60.49 41.18 16.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.971 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 51.7 mtt180 -89.87 -23.18 21.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -105.46 109.36 21.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.543 ' O ' ' CE2' ' A' ' 8' ' ' PHE . 6.7 mt -106.92 -25.01 11.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.959 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 65' ' ' PHE . 2.0 m-80 -120.34 126.24 50.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.442 ' C ' ' O ' ' A' ' 64' ' ' ASN . 12.5 t80 -34.47 -56.24 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 65' ' ' PHE . 4.1 t70 -35.36 -50.58 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.83 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -61.54 -53.93 49.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -55.74 -27.89 52.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -80.35 -38.81 29.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.827 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -51.39 -57.98 7.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -42.64 -57.37 2.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.815 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -50.0 -57.46 7.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -39.42 -53.18 2.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.425 ' O ' ' CG ' ' A' ' 78' ' ' ASN . 65.1 mt -53.56 -56.05 20.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 74' ' ' LEU . 65.1 mt -36.23 -38.4 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.3 t -86.67 -43.65 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.187 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.3 m -58.84 -67.63 0.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.425 ' CG ' ' O ' ' A' ' 74' ' ' LEU . 2.6 p30 -44.16 -26.04 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.4 t -84.76 -38.74 19.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 65.1 mt -82.67 -10.88 58.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -99.86 -19.72 16.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -99.87 -41.06 7.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -106.5 166.51 10.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.567 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -115.05 164.31 14.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.152 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.563 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 37.3 mttm -43.75 -49.99 7.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.919 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -38.68 -53.86 1.6 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 52.7 p -57.7 174.71 0.22 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.161 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.505 ' O ' ' N ' ' A' ' 90' ' ' TYR . 1.7 mt -89.82 -61.77 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.45 ' N ' HG22 ' A' ' 88' ' ' ILE . 1.0 OUTLIER -38.9 -25.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.567 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 6.4 t80 -69.06 -61.18 1.9 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 20.9 mtp85 -59.56 -29.35 67.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.96 -34.95 71.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.072 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.73 -34.92 62.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.115 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.5 t -61.49 -41.11 88.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.135 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -64.54 -42.95 95.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.823 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.557 HD12 ' CE1' ' A' ' 28' ' ' PHE . 60.9 mt -61.59 -47.03 87.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 58.7 ttt85 -62.41 -37.69 86.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -72.71 -64.59 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -64.65 -56.4 14.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -39.92 -37.4 0.97 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.464 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -45.75 -41.69 10.21 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.512 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.77 -37.41 84.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.834 0.349 . . . . 0.0 111.054 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 96.7 t -66.24 -46.03 88.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.167 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 89.3 mt -71.84 -25.29 61.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 44.0 mtt180 -79.54 -32.71 42.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.854 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.613 ' NE2' HE22 ' A' ' 18' ' ' GLN . 8.5 pt20 -81.09 -32.72 33.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -82.82 -25.26 32.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.058 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.8 tpp85 -60.81 -47.35 86.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -58.19 -33.55 69.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.829 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -67.48 -52.93 33.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.53 -15.06 3.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -100.96 -40.28 7.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.3 ptmm? -63.7 -22.6 66.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 8.9 mtt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.832 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 9' ' ' LEU . 2.0 m . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.987 0.422 . . . . 0.0 110.83 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.38 -57.52 1.43 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.484 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -47.57 -36.49 10.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 0.0 110.881 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.515 HD13 ' CE2' ' A' ' 60' ' ' TYR . 14.3 mt -60.32 -41.99 94.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 mp -65.05 -43.05 96.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 18.1 tp -58.12 -35.6 71.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.923 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.5 HD23 ' CG ' ' A' ' 68' ' ' PHE . 96.0 mt -72.7 -46.47 53.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 -64.45 -39.08 93.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -73.91 -35.24 64.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.46 ' N ' ' HG3' ' A' ' 14' ' ' LYS . 21.5 m -72.16 -42.25 66.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.1 tp -54.91 -38.0 67.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.952 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -65.0 -45.42 85.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -51.3 -46.03 62.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 35.9 mt -58.28 -50.59 73.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -45.26 -47.7 12.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -42.31 -45.49 4.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.7 mmtm -52.16 -44.25 64.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -75.75 107.31 7.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.868 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 67.3 p -90.11 -29.89 18.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.75 -21.69 68.24 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.427 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 m120 65.33 32.09 10.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.341 . . . . 0.0 110.935 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.483 HG23 ' CD1' ' A' ' 89' ' ' PHE . 62.4 mt -67.78 -40.18 83.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.083 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.512 ' CE1' HD11 ' A' ' 96' ' ' LEU . 2.0 m-85 -92.32 -12.59 32.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -52.44 -17.34 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.827 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -132.69 151.89 78.93 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.688 0.756 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 137.51 35.48 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.66 2.24 . . . . 0.0 112.318 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 88.4 t -62.38 122.36 72.77 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.615 0.722 . . . . 0.0 111.134 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 121.34 8.04 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.639 2.226 . . . . 0.0 112.362 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 53.3 mt -65.04 -23.15 67.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.8 t -58.54 -38.61 78.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.811 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -88.53 -30.5 19.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.6 t -120.48 84.34 35.71 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.606 0.717 . . . . 0.0 111.123 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 -18.22 37.31 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.71 2.274 . . . . 0.0 112.35 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 39' ' ' ASP . 1.5 p-10 -109.75 24.93 12.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -57.83 -56.77 17.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.459 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 25.3 mt -69.33 -30.57 68.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -48.88 -37.9 21.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -106.48 -24.97 12.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.4 mm -104.25 100.78 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.141 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 50.8 mmtt -59.69 -47.88 83.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.426 ' HE2' ' CD1' ' A' ' 74' ' ' LEU . 36.0 tttt -131.99 87.74 43.47 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.508 0.67 . . . . 0.0 110.871 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.459 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 53.3 Cg_endo -69.85 148.13 63.84 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.643 2.228 . . . . 0.0 112.292 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.448 ' O ' ' CG ' ' A' ' 49' ' ' ASP . 32.4 tpp -141.78 165.39 27.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.799 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.448 ' CG ' ' O ' ' A' ' 48' ' ' MET . 4.2 m-20 -162.6 175.61 11.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -70.29 -35.74 73.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.531 ' C ' ' CD1' ' A' ' 51' ' ' PHE . 0.4 OUTLIER -83.14 -36.52 24.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.907 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 59.1 m -61.0 -54.66 42.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 24.0 ptm -55.98 -39.18 71.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -54.17 -51.52 64.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -52.73 -55.31 23.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 42.2 m-20 -57.73 -42.8 84.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 tt -59.71 -45.6 91.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -66.82 -22.07 66.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.11 15.16 6.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.515 ' CE2' HD13 ' A' ' 9' ' ' LEU . 9.4 m-85 55.26 39.67 31.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.949 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 49.7 mtt180 -89.02 -25.51 21.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.823 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -103.94 116.18 31.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.6 mt -115.11 -23.9 8.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -119.7 141.48 49.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -50.73 -46.47 59.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -50.74 -25.08 3.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.797 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -86.73 -45.48 10.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.5 ' CG ' HD23 ' A' ' 12' ' ' LEU . 59.4 t80 -66.65 -25.31 66.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -89.34 -23.32 22.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -62.43 -45.41 93.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.836 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.486 ' OD1' ' N ' ' A' ' 72' ' ' PHE . 0.5 OUTLIER -64.72 -51.89 59.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.486 ' N ' ' OD1' ' A' ' 71' ' ' ASP . 2.0 t80 -50.17 -38.44 39.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -62.5 -37.2 85.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.426 ' CD1' ' HE2' ' A' ' 46' ' ' LYS . 39.4 mt -63.83 -45.8 87.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.401 HD13 ' C ' ' A' ' 49' ' ' ASP . 68.7 mt -48.04 -30.11 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.126 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.7 t -91.85 -50.04 12.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 80' ' ' LEU . 1.6 t -57.14 -66.68 0.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.4 ' ND2' ' HB3' ' A' ' 74' ' ' LEU . 90.0 m-20 -38.4 -41.18 0.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 34.5 t -70.97 -41.61 70.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 77' ' ' SER . 85.2 mt -74.67 -12.67 60.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -97.02 -34.99 10.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -78.77 -57.41 3.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -103.27 173.86 6.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.642 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -120.95 179.45 4.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.455 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 14.1 mtpp -51.59 -38.1 52.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -48.49 -36.32 14.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 61.8 p -79.91 169.5 17.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.175 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' A' ' 90' ' ' TYR . 4.8 mt -83.27 -64.35 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.483 ' CD1' HG23 ' A' ' 27' ' ' ILE . 1.1 m-85 -38.84 -25.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.642 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 8.7 t80 -67.86 -47.54 68.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 88' ' ' ILE . 10.0 mtp-105 -64.49 -48.96 73.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.958 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.56 -44.17 69.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.119 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.24 -41.41 96.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 38.8 t -58.59 -37.57 65.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.156 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.7 ttt180 -70.42 -48.88 54.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.512 HD11 ' CE1' ' A' ' 28' ' ' PHE . 77.5 mt -54.39 -49.38 70.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 49.0 ttt85 -58.14 -41.24 83.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.836 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -69.89 -67.0 0.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -64.18 -54.5 32.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -41.22 -39.47 2.21 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.513 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -49.72 -40.91 34.18 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.411 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.64 -29.44 69.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.812 0.339 . . . . 0.0 111.068 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.1 t -77.37 -40.18 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 73.9 mt -73.54 -26.18 60.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.996 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 24.3 mtp180 -82.34 -32.22 29.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -79.33 -25.09 42.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -92.08 -27.25 17.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.171 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 35.0 ttp85 -56.72 -50.3 72.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -51.17 -33.48 27.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -67.25 -59.26 3.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -47.81 -21.44 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.074 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -94.97 -45.9 7.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 10.1 pttp -55.43 -19.79 10.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.821 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 8.9 mmt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.892 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 9' ' ' LEU . 1.6 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.929 0.395 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -40.03 -38.08 1.16 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -65.32 -41.1 94.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.357 . . . . 0.0 110.889 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 6' ' ' SER . 67.6 mt -55.67 -34.93 65.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.5 mp -69.11 -46.05 78.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 52.5 tp -52.34 -32.63 39.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.435 ' HB3' ' CD1' ' A' ' 57' ' ' LEU . 6.2 mp -75.39 -50.25 16.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.462 ' HG2' ' CD2' ' A' ' 57' ' ' LEU . 71.9 mtp180 -60.89 -36.05 78.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -77.2 -35.31 55.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.444 ' N ' ' HG3' ' A' ' 14' ' ' LYS . 17.7 m -71.59 -40.32 69.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.138 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.487 ' CD2' ' CD ' ' A' ' 54' ' ' LYS . 9.4 tp -55.47 -40.61 71.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.982 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -63.86 -42.52 97.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -54.3 -40.67 68.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.561 HD11 ' CD2' ' A' ' 72' ' ' PHE . 65.0 mt -64.17 -51.41 63.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' A' ' 23' ' ' ASP . 12.5 mt-30 -46.07 -47.52 17.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -40.4 -39.16 0.93 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -61.15 -42.03 97.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 20' ' ' GLN . 40.2 t0 -75.89 107.29 7.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.836 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 66.7 p -89.51 -25.78 21.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.02 -19.33 57.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.518 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.5 m120 66.05 35.79 6.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.34 . . . . 0.0 110.937 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.403 HG22 ' CD1' ' A' ' 89' ' ' PHE . 67.1 mt -68.88 -44.25 81.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.173 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.55 ' CE1' HD11 ' A' ' 96' ' ' LEU . 1.1 m-85 -91.94 -5.03 53.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -62.33 -12.82 23.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.815 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -144.49 150.73 48.62 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.647 0.737 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 150.17 67.75 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.676 2.251 . . . . 0.0 112.333 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.8 t -80.19 123.68 83.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.64 0.733 . . . . 0.0 111.19 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 124.25 10.88 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.626 2.217 . . . . 0.0 112.326 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.7 mt -59.69 -33.55 71.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.6 m -45.01 -35.03 2.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.804 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -94.74 -29.73 14.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.8 t -125.3 86.23 57.29 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.708 0.766 . . . . 0.0 111.144 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.66 -18.53 37.44 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.634 2.223 . . . . 0.0 112.38 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -107.25 22.22 16.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -56.45 -65.01 0.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.449 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 16.3 mt -61.86 -41.33 97.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -38.13 -36.33 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.432 ' HB2' ' CE1' ' A' ' 82' ' ' TYR . 59.3 m-70 -104.96 -31.28 9.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.8 mm -101.57 119.19 49.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.5 mmtm -77.86 -43.04 31.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -128.02 87.24 56.09 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.616 0.722 . . . . 0.0 110.837 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.449 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 53.5 Cg_endo -69.82 93.76 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.669 2.246 . . . . 0.0 112.283 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 35.4 tpp -91.78 157.98 16.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.96 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -159.85 159.85 33.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.438 ' CD2' ' HB2' ' A' ' 28' ' ' PHE . 9.7 m-85 -53.93 -34.07 58.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -85.88 -39.31 17.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 27.7 m -61.13 -51.18 70.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 11.1 ptm -57.05 -34.71 68.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.487 ' CD ' ' CD2' ' A' ' 16' ' ' LEU . 16.1 tptm -58.07 -51.89 67.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -49.79 -50.89 43.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -64.79 -40.27 94.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.462 ' CD2' ' HG2' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -59.86 -41.72 92.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.946 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.409 ' N ' HD21 ' A' ' 57' ' ' LEU . 15.4 mt-10 -81.07 -6.39 58.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -98.28 16.81 20.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.073 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 57.78 35.74 25.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.6 mtt180 -90.13 -25.84 20.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -107.8 113.22 26.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.963 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.4 mt -110.34 -26.72 9.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.513 ' N ' ' ND2' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -122.47 143.88 49.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -51.51 -40.4 59.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -51.59 -25.64 7.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -87.43 -50.13 6.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.433 ' CG ' ' HG ' ' A' ' 12' ' ' LEU . 45.5 t80 -63.77 -21.01 66.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.91 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -88.16 -22.0 24.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.87 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -69.66 -52.78 22.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.84 -51.69 65.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.561 ' CD2' HD11 ' A' ' 19' ' ' LEU . 5.4 t80 -51.87 -39.53 59.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -61.22 -34.61 75.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.935 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 76' ' ' VAL . 34.8 mt -67.31 -54.36 21.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 73.8 mt -38.93 -27.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.19 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 74' ' ' LEU . 74.2 t -94.95 -43.52 13.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.142 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 80' ' ' LEU . 9.2 t -59.85 -68.78 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -41.44 -31.66 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 3.8 t -80.89 -38.81 27.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.459 ' CD2' ' CE1' ' A' ' 90' ' ' TYR . 74.8 mt -79.52 -12.03 59.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.46 ' CG ' ' N ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -98.28 -45.94 6.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.836 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.46 ' N ' ' CG ' ' A' ' 81' ' ' LYS . 10.3 t80 -66.6 -56.43 10.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.963 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -98.14 172.34 7.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.639 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -119.5 164.22 16.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.538 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 66.0 mttt -41.48 -44.02 2.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -41.15 -47.37 3.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 43.0 p -69.28 170.42 10.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.502 ' O ' ' N ' ' A' ' 90' ' ' TYR . 1.6 mt -82.32 -61.45 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.452 ' N ' HG23 ' A' ' 88' ' ' ILE . 1.4 m-85 -39.03 -25.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.639 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 6.1 t80 -70.52 -60.56 2.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.941 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -55.47 -37.0 67.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.19 -43.84 90.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.076 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.55 -42.51 98.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.019 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 37.6 t -54.73 -42.39 61.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.429 ' HD2' ' NE2' ' A' ' 99' ' ' GLN . 5.8 ttp-105 -61.52 -59.98 4.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.55 HD11 ' CE1' ' A' ' 28' ' ' PHE . 86.0 mt -45.29 -50.22 12.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.971 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 58.3 ttt85 -57.28 -41.0 78.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -74.07 -67.38 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.429 ' NE2' ' HD2' ' A' ' 95' ' ' ARG . 59.2 mt-30 -62.75 -54.03 45.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -45.19 -34.57 4.49 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.533 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -49.76 -41.69 35.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.478 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.2 -25.14 68.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.341 . . . . 0.0 111.094 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 97.2 t -78.64 -38.85 22.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 57.7 mt -78.77 -16.48 57.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 70.0 mtm180 -89.3 -39.5 13.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.81 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.426 ' C ' ' CD ' ' A' ' 106' ' ' GLN . 3.8 pp0? -69.65 -29.53 67.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -85.46 -29.54 24.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -51.17 -43.99 61.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -57.22 -37.42 72.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -65.05 -53.17 49.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.12 -15.96 1.77 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -101.63 -38.43 7.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 11.6 pttp -62.54 -21.1 65.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 7.1 mtt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.92 179.866 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 m . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.949 0.404 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -40.44 -56.82 2.82 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.502 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.501 ' CE2' HD11 ' A' ' 12' ' ' LEU . 68.2 t80 -46.7 -45.59 19.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.911 0.386 . . . . 0.0 110.901 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.473 HD11 ' CE2' ' A' ' 60' ' ' TYR . 21.9 mt -51.94 -54.72 26.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.0 mp -53.76 -56.32 9.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.9 tp -41.75 -40.52 2.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.501 HD11 ' CE2' ' A' ' 8' ' ' PHE . 72.1 mt -68.9 -45.07 71.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.0 mtm180 -58.32 -42.7 87.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.428 ' HD2' ' N ' ' A' ' 15' ' ' THR . 0.2 OUTLIER -72.35 -38.63 68.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.428 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 87.0 m -68.18 -35.33 77.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.181 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.9 tp -62.02 -39.55 92.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -65.48 -45.04 85.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -53.54 -35.6 60.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 50.2 mt -67.78 -39.34 84.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -59.9 -44.62 94.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -42.07 -45.78 4.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.946 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.451 ' HB2' ' CD2' ' A' ' 96' ' ' LEU . 28.9 mmtm -53.73 -42.24 67.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -78.88 85.1 4.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 52.1 p -70.99 -27.64 63.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.54 -17.05 69.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.437 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.0 m120 62.42 34.42 15.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.862 0.363 . . . . 0.0 110.914 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 21.4 mt -68.8 -36.59 74.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.173 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.563 ' CE1' HD11 ' A' ' 96' ' ' LEU . 3.6 m-85 -99.65 -10.05 22.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -56.88 -14.08 3.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -140.16 152.1 66.42 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.699 0.761 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 137.8 36.3 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.678 2.252 . . . . 0.0 112.343 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.5 t -65.17 129.96 94.63 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.584 0.707 . . . . 0.0 111.073 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 146.21 59.67 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.651 2.234 . . . . 0.0 112.332 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 54.0 mt -84.48 -25.35 28.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.5 t -52.99 -42.89 66.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.771 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -89.85 -22.38 22.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.818 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.1 t -127.19 83.08 66.92 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.622 0.725 . . . . 0.0 111.072 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -20.82 34.09 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.739 2.293 . . . . 0.0 112.353 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -110.61 26.52 10.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -52.9 -52.5 57.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 43' ' ' HIS . 54.1 mt -73.46 -37.85 65.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 41' ' ' LEU . 15.9 t70 -37.08 -30.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.465 ' N ' ' O ' ' A' ' 41' ' ' LEU . 39.5 m-70 -111.42 -35.06 5.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.4 mm -94.5 129.9 44.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.1 mmtt -89.86 -41.6 11.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.898 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.1 tttp -128.78 87.16 55.56 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.599 0.714 . . . . 0.0 110.878 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 109.63 2.37 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.694 2.263 . . . . 0.0 112.353 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 25.8 tpp -110.45 162.51 14.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -160.8 172.84 16.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -62.65 -56.52 16.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -65.86 -42.85 89.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.5 m -58.37 -54.54 45.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.453 ' HG3' ' N ' ' A' ' 54' ' ' LYS . 2.4 ppp? -55.1 -33.55 62.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.453 ' N ' ' HG3' ' A' ' 53' ' ' MET . 9.6 tptm -64.16 -48.03 77.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -52.07 -45.11 64.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.838 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -68.17 -37.66 81.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.463 HD21 ' N ' ' A' ' 58' ' ' GLU . 0.9 OUTLIER -61.75 -57.05 13.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.463 ' N ' HD21 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -57.91 -20.74 39.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.23 9.99 13.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.158 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.473 ' CE2' HD11 ' A' ' 9' ' ' LEU . 16.3 m-85 60.22 43.18 14.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.1 mtt85 -94.54 -23.95 17.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.474 ' CZ ' ' OD2' ' A' ' 71' ' ' ASP . 13.8 m-85 -107.53 111.52 23.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.977 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.6 mt -107.46 -23.09 12.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -117.44 134.32 54.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -42.99 -38.01 2.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -55.56 -42.18 74.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -64.73 -60.9 2.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -48.3 -45.11 34.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -67.1 -50.79 60.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -38.61 -52.53 1.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.474 ' OD2' ' CZ ' ' A' ' 62' ' ' TYR . 15.0 m-20 -52.69 -55.72 20.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.832 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -50.64 -43.3 57.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -53.0 -56.1 18.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.445 ' HB3' ' ND2' ' A' ' 78' ' ' ASN . 73.9 mt -44.49 -52.0 8.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 83.5 mt -40.48 -46.64 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 84.0 t -77.63 -51.5 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.074 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 80' ' ' LEU . 12.8 m -56.05 -65.57 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.811 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.445 ' ND2' ' HB3' ' A' ' 74' ' ' LEU . 83.7 m-20 -40.98 -33.01 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 6.4 t -76.72 -42.55 40.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.477 HD23 ' CE1' ' A' ' 90' ' ' TYR . 10.9 mt -75.28 -15.03 60.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -94.31 -25.39 17.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -84.33 -55.68 4.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.957 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.4 ' HB3' ' CG2' ' A' ' 87' ' ' THR . 6.1 m-80 -108.71 -175.34 2.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.566 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -119.45 -174.55 2.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.57 ' HG3' ' CE1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -64.78 -15.16 61.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.86 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -72.54 -27.97 62.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.852 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.4 ' CG2' ' HB3' ' A' ' 83' ' ' ASN . 72.9 p -85.77 165.42 16.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.513 ' O ' ' N ' ' A' ' 90' ' ' TYR . 3.9 mt -76.67 -65.0 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.445 ' N ' HG22 ' A' ' 88' ' ' ILE . 0.8 OUTLIER -37.92 -26.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.57 ' CE1' ' HG3' ' A' ' 85' ' ' LYS . 4.5 t80 -72.88 -68.36 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.011 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 44.2 mtp85 -49.01 -41.07 33.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.82 -40.98 99.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.33 -40.53 85.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 24.4 t -54.9 -41.42 57.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -64.82 -43.52 92.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.563 HD11 ' CE1' ' A' ' 28' ' ' PHE . 31.6 mt -58.29 -43.21 87.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 49.7 ttt85 -63.14 -35.84 81.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -75.39 -60.5 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -68.87 -56.96 6.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.984 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -38.26 -39.86 0.8 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.463 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -45.76 -47.95 13.34 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.43 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.02 -27.69 33.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 111.093 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 68.9 t -79.27 -45.57 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 56.4 mt -72.96 -17.62 61.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.0 mtp180 -87.34 -38.04 16.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -74.05 -35.51 64.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.28 -21.99 42.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 7.8 tpp85 -59.61 -50.36 74.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -55.55 -32.31 62.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -68.66 -57.61 5.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.42 -14.86 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.087 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -100.46 -40.22 7.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -60.35 -25.16 65.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.818 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 14.0 mmt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 179.856 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.475 ' O ' ' N ' ' A' ' 9' ' ' LEU . 10.1 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.908 0.385 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -34.35 -43.87 0.38 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.518 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.497 ' CE2' ' O ' ' A' ' 63' ' ' LEU . 87.8 t80 -58.17 -44.76 88.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 110.836 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.574 ' CD1' ' CE2' ' A' ' 60' ' ' TYR . 70.0 mt -59.47 -41.11 89.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.5 mp -68.56 -43.7 83.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.7 tp -52.96 -39.99 63.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.414 HD22 ' CG ' ' A' ' 68' ' ' PHE . 47.4 mt -69.29 -52.6 25.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -48.06 -44.21 31.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' ' 15' ' ' THR . 0.2 OUTLIER -71.12 -42.97 68.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.456 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 54.1 m -58.08 -49.68 76.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.417 ' CD2' ' HD3' ' A' ' 54' ' ' LYS . 20.6 tp -50.32 -46.66 55.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -54.13 -51.84 62.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -45.7 -48.4 15.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.5 mt -57.53 -46.45 83.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -51.3 -43.69 61.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -48.86 -43.68 39.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.4 mmtt -58.02 -40.82 81.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -71.9 79.74 0.89 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.5 p -66.21 -35.85 81.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.426 ' O ' ' CG ' ' A' ' 26' ' ' ASN . . . -78.28 -9.15 87.21 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.437 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.426 ' CG ' ' O ' ' A' ' 25' ' ' GLY . 5.1 p-10 46.82 44.75 14.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.797 0.332 . . . . 0.0 110.88 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 86.4 mt -79.83 -38.76 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.568 ' CE1' HD11 ' A' ' 96' ' ' LEU . 4.8 m-85 -92.06 -15.83 27.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -49.32 -18.73 0.4 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -132.53 152.34 79.82 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.697 0.76 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 133.56 25.84 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.642 2.228 . . . . 0.0 112.337 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.6 t -59.85 126.07 82.2 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.666 0.746 . . . . 0.0 111.162 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 141.95 46.77 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.685 2.257 . . . . 0.0 112.377 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 41.3 mt -82.46 -26.06 32.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.949 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.0 m -50.83 -40.91 56.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -90.81 -28.42 18.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.6 t -120.21 83.98 33.24 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.683 0.754 . . . . 0.0 111.126 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -17.9 37.51 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.695 2.264 . . . . 0.0 112.31 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -112.38 27.42 9.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -58.27 -61.96 2.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.437 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 24.7 mt -64.65 -33.09 75.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.899 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.0 -33.97 2.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.492 ' HB2' ' CE1' ' A' ' 82' ' ' TYR . 36.4 m-70 -105.75 -30.79 9.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.468 ' CD1' ' HD3' ' A' ' 81' ' ' LYS . 11.7 mm -101.47 123.7 54.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -82.27 -45.3 15.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.9 tttp -125.55 86.84 56.7 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.526 0.679 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.437 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 53.2 Cg_endo -69.73 113.41 3.36 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.642 2.228 . . . . 0.0 112.356 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 42.3 tpp -110.69 157.18 20.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -150.74 179.92 7.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -75.6 -39.68 57.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -77.48 -40.15 44.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.6 m -63.01 -52.71 61.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.152 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.6 ppp? -53.92 -36.53 62.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.417 ' HD3' ' CD2' ' A' ' 16' ' ' LEU . 14.8 tptm -65.68 -45.15 83.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -54.73 -46.33 74.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -66.25 -39.36 89.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.405 HD11 ' CB ' ' A' ' 12' ' ' LEU . 1.9 tt -61.08 -42.86 99.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -67.71 -19.43 65.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.36 20.53 7.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.154 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.574 ' CE2' ' CD1' ' A' ' 9' ' ' LEU . 8.2 m-85 51.61 43.68 29.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.1 mtt-85 -93.26 -22.4 19.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -110.15 107.97 17.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.497 ' O ' ' CE2' ' A' ' 8' ' ' PHE . 7.2 mt -105.74 -25.58 12.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -114.15 146.04 40.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -55.07 -49.5 71.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -46.04 -32.19 2.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.933 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -76.45 -59.65 2.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.414 ' CG ' HD22 ' A' ' 12' ' ' LEU . 20.0 t80 -54.87 -25.5 29.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -84.93 -31.16 23.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -58.2 -56.5 21.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.836 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.532 ' CG ' ' N ' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -49.26 -54.91 14.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.852 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.532 ' N ' ' CG ' ' A' ' 71' ' ' ASP . 12.8 t80 -50.73 -45.33 58.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -57.74 -49.42 76.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 14.7 mt -44.78 -52.49 8.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 57.7 mt -47.25 -47.15 9.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 89.4 t -67.91 -53.74 28.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 80' ' ' LEU . 10.3 p -61.96 -66.69 0.5 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 77' ' ' SER . 77.5 m-20 -36.18 -31.16 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.867 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.482 ' N ' ' O ' ' A' ' 77' ' ' SER . 7.8 t -81.22 -44.14 18.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 77' ' ' SER . 27.5 mt -71.79 -19.32 62.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.468 ' HD3' ' CD1' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -89.95 -36.23 15.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.844 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.492 ' CE1' ' HB2' ' A' ' 43' ' ' HIS . 12.7 t80 -77.48 -52.64 8.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.914 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -103.75 -176.38 3.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.647 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -125.68 -178.42 4.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.069 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.441 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -54.25 -34.3 60.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.937 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.08 -61.0 2.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 66.8 p -49.07 170.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.504 ' O ' ' N ' ' A' ' 90' ' ' TYR . 7.5 mt -87.07 -64.19 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.171 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.472 ' N ' HG22 ' A' ' 88' ' ' ILE . 0.8 OUTLIER -38.16 -26.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.647 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 7.8 t80 -68.41 -65.76 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.954 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 52.8 mtt-85 -52.15 -41.4 62.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.46 -48.04 83.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.072 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -55.67 -45.11 77.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 43.5 t -50.53 -51.81 17.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.16 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 6.2 ttp-105 -55.75 -54.98 37.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.568 HD11 ' CE1' ' A' ' 28' ' ' PHE . 13.3 mt -43.97 -47.53 8.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 50.6 ttt-85 -64.91 -35.16 80.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -65.12 -66.53 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -69.04 -49.12 60.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -42.15 -39.8 3.15 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -47.06 -44.76 19.51 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.538 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.65 -27.15 62.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.836 0.35 . . . . 0.0 111.126 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 87.6 t -82.1 -40.64 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 68.4 mt -75.76 -19.04 59.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 24.7 mtt85 -89.95 -39.27 13.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -70.88 -20.5 62.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -93.81 -38.37 11.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.048 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -47.55 -46.0 27.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -57.4 -34.58 69.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.954 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -66.68 -54.03 27.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.31 -16.92 1.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -94.92 -41.45 9.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 11.9 pttp -62.8 -28.37 69.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 8.3 mmt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.855 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 9' ' ' LEU . 4.4 p . . . . . 0 CA--C 1.526 0.057 0 CA-C-O 120.93 0.395 . . . . 0.0 110.818 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.92 -45.68 1.63 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.457 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.451 ' CE1' HD13 ' A' ' 12' ' ' LEU . 43.8 t80 -60.18 -41.53 93.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.94 0.4 . . . . 0.0 110.899 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.501 HD12 ' CE2' ' A' ' 60' ' ' TYR . 18.9 mt -54.1 -41.94 68.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.976 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.3 mp -59.24 -44.56 92.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.141 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 52.0 tp -53.53 -38.23 63.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.451 HD13 ' CE1' ' A' ' 8' ' ' PHE . 7.5 mp -74.59 -47.54 31.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.7 mtp180 -61.52 -32.98 73.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -83.68 -32.9 25.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.452 ' N ' ' HG3' ' A' ' 14' ' ' LYS . 18.5 m -73.43 -37.77 65.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.218 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.421 ' CD1' ' SD ' ' A' ' 53' ' ' MET . 29.1 tp -56.98 -40.72 77.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -65.04 -47.89 75.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -53.61 -31.2 46.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.973 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.2 mt -73.33 -45.57 54.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 23' ' ' ASP . 10.5 mt-30 -53.41 -39.01 63.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -40.55 -42.84 1.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.404 ' HB2' ' CD2' ' A' ' 96' ' ' LEU . 24.8 mmtm -60.33 -42.33 95.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 20' ' ' GLN . 56.1 t0 -69.5 117.76 11.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.969 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.6 p -115.79 -24.95 7.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.203 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.44 ' O ' ' CG ' ' A' ' 26' ' ' ASN . . . -87.78 5.72 84.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.44 ' CG ' ' O ' ' A' ' 25' ' ' GLY . 1.9 p-10 46.25 42.71 10.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.828 0.347 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.427 HG22 ' CD1' ' A' ' 89' ' ' PHE . 74.7 mt -87.02 -36.59 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.063 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.475 ' CD1' HD12 ' A' ' 96' ' ' LEU . 4.3 m-85 -100.21 -14.81 18.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 t -51.97 -30.14 23.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -127.19 152.29 75.75 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.678 0.752 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.82 135.84 31.34 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.629 2.219 . . . . 0.0 112.392 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.3 t -53.86 126.48 50.52 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.663 0.745 . . . . 0.0 111.127 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 136.97 34.54 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.686 2.257 . . . . 0.0 112.354 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.3 mt -81.48 -38.49 26.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.9 t -48.09 -25.7 1.55 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -102.76 -29.45 11.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -130.81 83.84 60.26 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.625 0.726 . . . . 0.0 111.185 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -18.36 37.09 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.714 2.276 . . . . 0.0 112.298 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.49 ' OD1' ' CB ' ' A' ' 42' ' ' ASP . 6.4 t0 -99.28 14.32 29.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -57.86 -58.31 8.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.98 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.4 mt -63.02 -34.76 78.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.49 ' CB ' ' OD1' ' A' ' 39' ' ' ASP . 24.5 t0 -45.91 -41.76 11.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 45.4 m-70 -97.02 -41.58 8.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.9 mm -89.85 115.44 29.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.132 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.7 mmtm -75.03 -47.28 29.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -124.94 86.92 55.94 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.606 0.717 . . . . 0.0 110.879 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 97.8 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.669 2.246 . . . . 0.0 112.316 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.1 tpp -102.23 149.78 23.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -143.07 -177.44 5.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -73.89 -30.3 62.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -86.25 -47.5 9.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.6 m -54.17 -54.08 44.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.112 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.421 ' SD ' ' CD1' ' A' ' 16' ' ' LEU . 28.1 ptm -55.01 -38.27 67.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.816 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.3 tptm -58.39 -46.02 87.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -56.25 -58.32 8.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 57.6 m-20 -52.37 -39.52 60.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.951 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -58.71 -41.52 86.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.858 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.463 ' N ' HD23 ' A' ' 57' ' ' LEU . 58.8 mt-10 -76.02 -10.12 59.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -98.26 19.69 13.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.073 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.501 ' CE2' HD12 ' A' ' 9' ' ' LEU . 76.7 m-85 51.67 41.66 29.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 -93.04 -24.27 18.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -107.11 118.49 36.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.962 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.3 mt -117.04 -23.12 8.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.951 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -119.09 143.04 47.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -55.17 -41.78 72.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -52.24 -29.95 25.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -76.79 -62.44 1.64 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.413 ' CG ' ' HG ' ' A' ' 12' ' ' LEU . 24.2 t80 -50.88 -35.01 30.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -76.45 -21.06 56.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -73.83 -48.5 30.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 72' ' ' PHE . 0.3 OUTLIER -55.72 -44.72 77.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.482 ' N ' ' OD1' ' A' ' 71' ' ' ASP . 7.6 t80 -57.19 -50.25 73.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 -50.2 -47.52 54.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.457 ' HB3' ' ND2' ' A' ' 78' ' ' ASN . 15.2 mt -49.47 -43.83 45.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 26.6 mt -53.51 -46.0 59.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.462 ' CG1' HD13 ' A' ' 80' ' ' LEU . 55.6 t -71.24 -56.15 11.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.237 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.501 ' O ' ' N ' ' A' ' 80' ' ' LEU . 23.4 p -56.08 -70.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.457 ' ND2' ' HB3' ' A' ' 74' ' ' LEU . 94.5 m-20 -37.33 -28.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.931 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.491 ' N ' ' O ' ' A' ' 77' ' ' SER . 6.2 t -83.76 -42.81 16.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.811 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 77' ' ' SER . 58.5 mt -74.36 -12.63 60.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.975 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -96.38 -27.68 14.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -83.99 -49.21 9.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.921 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -100.22 178.48 4.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.795 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.611 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -120.3 166.09 13.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.055 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.504 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 17.0 mtmt -52.2 -29.66 23.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.1 -41.65 98.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 44.9 p -69.64 174.2 5.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.511 ' O ' ' N ' ' A' ' 90' ' ' TYR . 4.1 mt -85.56 -62.14 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.464 ' N ' HG23 ' A' ' 88' ' ' ILE . 0.7 OUTLIER -38.46 -26.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.611 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 7.5 t80 -70.12 -60.96 1.97 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 56.2 mtp85 -56.29 -40.04 73.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.41 -44.02 96.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.136 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.28 -39.8 93.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.071 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 24.4 t -56.31 -54.9 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.085 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.455 ' HE ' ' NE2' ' A' ' 99' ' ' GLN . 12.1 ttt-85 -56.53 -48.77 76.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.475 HD12 ' CD1' ' A' ' 28' ' ' PHE . 41.8 mt -45.04 -51.76 9.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 23.4 ttt180 -62.99 -39.24 94.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -60.37 -66.32 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.455 ' NE2' ' HE ' ' A' ' 95' ' ' ARG . 32.5 mt-30 -66.18 -51.33 58.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -43.03 -35.63 2.4 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.543 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -46.32 -41.17 11.52 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.08 -42.43 89.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 0.0 111.078 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 91.5 t -57.65 -50.58 76.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 52.6 mt -70.6 -22.04 62.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -77.12 -40.23 46.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.803 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -75.74 -21.8 57.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -89.68 -30.28 18.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -58.67 -46.65 86.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -56.06 -33.76 65.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 112' ' ' GLU . 8.3 mt-30 -67.51 -64.2 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -40.56 -25.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 110' ' ' GLN . 14.8 mt-10 -87.26 -43.37 12.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 23.1 pttt -60.46 -23.25 64.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 21.4 mmt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.861 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.904 0.383 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.39 -50.63 2.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.521 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.449 ' CE2' ' C ' ' A' ' 63' ' ' LEU . 66.8 t80 -53.15 -47.29 68.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.901 0.381 . . . . 0.0 110.916 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.479 HD13 ' CE2' ' A' ' 60' ' ' TYR . 16.5 mt -50.58 -51.47 47.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.7 mp -53.94 -48.36 63.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.7 tp -53.61 -36.72 62.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.437 ' HB3' ' CD1' ' A' ' 57' ' ' LEU . 9.9 mp -74.48 -44.78 49.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -61.08 -46.43 90.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.45 ' HZ1' ' NE2' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -69.95 -35.63 74.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.3 m -68.64 -45.41 71.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.2 tp -53.2 -37.44 61.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.968 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -70.05 -47.57 61.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.45 ' NE2' ' HZ1' ' A' ' 14' ' ' LYS . 33.6 mt-30 -48.57 -39.68 24.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.852 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.7 mt -65.85 -50.91 62.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -45.85 -43.73 13.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -42.22 -45.36 4.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -59.98 -40.63 89.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -74.32 103.58 4.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.9 p -90.33 -34.14 15.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.89 -15.08 81.27 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.489 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 m120 58.68 35.09 24.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.789 0.328 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 88.0 mt -68.66 -38.87 79.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.532 ' CE1' HD13 ' A' ' 96' ' ' LEU . 1.1 m-85 -92.69 -10.43 37.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 t -56.69 -13.94 2.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.846 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -141.6 152.27 62.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.657 0.742 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 137.08 34.47 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.641 2.227 . . . . 0.0 112.365 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 72.8 t -63.49 123.77 82.18 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.66 0.743 . . . . 0.0 111.113 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 136.16 32.1 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.663 2.242 . . . . 0.0 112.369 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 41.3 mt -72.97 -28.36 62.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.3 t -45.54 -43.08 11.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.83 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -90.34 -31.81 16.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.6 t -114.92 86.42 13.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.657 0.741 . . . . 0.0 111.099 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -19.93 35.28 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.344 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -116.04 32.95 5.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -60.21 -59.41 5.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.968 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 25.0 mt -64.99 -32.1 73.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -45.7 -39.24 7.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -99.91 -32.04 11.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.0 mm -101.75 120.15 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.164 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.56 -41.15 24.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -128.71 86.5 57.4 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.516 0.674 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 110.04 2.45 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.64 2.227 . . . . 0.0 112.339 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 47.3 tpp -113.34 155.51 25.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -160.06 176.82 11.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -63.88 -39.76 94.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -72.66 -51.62 18.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.6 m -56.73 -57.34 12.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 19.4 ptm -48.31 -43.37 33.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.406 ' C ' ' CD ' ' A' ' 54' ' ' LYS . 1.0 OUTLIER -55.72 -60.09 3.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.887 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 45.9 mm-40 -40.67 -44.84 2.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -69.39 -40.53 77.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.437 ' CD1' ' HB3' ' A' ' 12' ' ' LEU . 2.7 tt -61.98 -51.75 66.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -67.17 -18.95 65.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.71 7.68 29.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.13 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.479 ' CE2' HD13 ' A' ' 9' ' ' LEU . 53.7 m-85 62.42 46.34 5.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.4 mtt-85 -100.66 -25.48 14.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.481 ' CZ ' ' OD2' ' A' ' 71' ' ' ASP . 22.7 m-85 -102.89 101.39 11.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.449 ' C ' ' CE2' ' A' ' 8' ' ' PHE . 6.9 mt -101.65 -24.58 14.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -118.91 135.7 54.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 66' ' ' ASP . 12.2 t80 -43.11 -57.89 2.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 65' ' ' PHE . 5.7 m-20 -35.16 -44.77 0.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -64.6 -53.76 42.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.409 ' CG ' ' HG ' ' A' ' 12' ' ' LEU . 84.6 t80 -56.3 -34.88 66.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -72.3 -47.58 48.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -44.59 -55.76 4.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.481 ' OD2' ' CZ ' ' A' ' 62' ' ' TYR . 2.5 m-20 -47.62 -58.32 4.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -48.31 -53.24 18.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -44.55 -52.71 7.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 63.6 mt -52.6 -50.75 62.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.0 mt -41.32 -35.47 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.413 ' CG1' HD12 ' A' ' 80' ' ' LEU . 48.5 t -91.19 -47.57 14.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 80' ' ' LEU . 4.8 t -55.07 -70.3 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -40.01 -34.83 0.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 7.3 t -78.88 -35.98 42.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.664 ' CD2' ' CE1' ' A' ' 90' ' ' TYR . 78.6 mt -82.44 -8.05 59.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.83 -31.78 9.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -75.96 -52.95 9.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -107.51 -177.95 3.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.46 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -122.76 161.88 23.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.073 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.475 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 78.2 mttt -39.85 -30.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -55.62 -46.61 77.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 80.2 p -67.27 170.35 7.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.16 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.503 ' O ' ' N ' ' A' ' 90' ' ' TYR . 4.9 mt -82.24 -64.03 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.131 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.463 ' N ' HG23 ' A' ' 88' ' ' ILE . 0.7 OUTLIER -38.6 -26.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.664 ' CE1' ' CD2' ' A' ' 80' ' ' LEU . 4.6 t80 -71.08 -64.08 0.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 60.2 mtt-85 -52.66 -37.37 58.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.33 -40.93 96.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.13 -39.64 82.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 15.0 t -52.47 -49.56 42.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -58.99 -54.47 46.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.532 HD13 ' CE1' ' A' ' 28' ' ' PHE . 76.2 mt -48.71 -42.08 33.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 55.2 ttt85 -66.25 -35.7 81.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -75.91 -66.19 0.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -62.55 -53.05 60.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -44.29 -40.21 5.89 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -43.49 -35.61 2.93 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.413 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.67 -35.01 78.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.843 0.354 . . . . 0.0 111.064 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.417 HG13 ' CB ' ' A' ' 18' ' ' GLN . 59.8 t -71.04 -36.33 62.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.071 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 89.8 mt -80.51 -26.78 37.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.812 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.8 mtp85 -78.28 -38.47 42.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.845 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -75.8 -22.7 56.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -89.36 -36.21 15.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.07 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -51.24 -45.86 62.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -57.68 -34.45 69.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -67.45 -55.08 15.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -52.77 -17.62 1.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -97.06 -39.82 9.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 10.2 pttp -61.26 -21.06 63.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.938 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 11.6 mmt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 179.836 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 p . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.93 0.395 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.75 -43.46 2.34 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.482 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -61.54 -43.28 99.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.889 0.376 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.482 HD12 ' CE2' ' A' ' 60' ' ' TYR . 76.4 mt -53.29 -41.95 66.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.7 mp -62.22 -43.57 98.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 44.4 tp -52.83 -39.02 62.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.451 ' HG ' ' CD2' ' A' ' 68' ' ' PHE . 8.1 mp -70.36 -50.75 35.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 81.4 mtt180 -51.82 -42.21 62.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.421 ' C ' ' HD2' ' A' ' 14' ' ' LYS . 1.0 OUTLIER -71.13 -40.39 71.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 53.0 m -62.84 -54.01 45.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.108 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.6 tp -45.57 -46.81 14.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -60.09 -41.24 92.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -61.23 -40.02 92.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 44.2 mt -66.39 -45.92 78.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 23' ' ' ASP . 6.4 mm-40 -54.56 -46.86 73.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 20' ' ' GLN . 17.6 mt-10 -37.27 -48.09 0.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt -54.35 -43.25 71.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 53.1 t0 -58.67 114.6 2.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.3 p -104.39 -42.43 5.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.99 11.32 48.88 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.466 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.477 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 8.7 p-10 40.1 33.42 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 110.916 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 80.1 mt -72.87 -37.78 55.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.166 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.536 ' CE1' HD12 ' A' ' 96' ' ' LEU . 4.5 m-85 -99.56 -17.25 17.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 t -55.11 -17.37 3.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -131.1 152.44 80.65 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.668 0.746 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 137.69 36.0 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.674 2.249 . . . . 0.0 112.304 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.7 t -59.19 114.61 9.6 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.687 0.756 . . . . 0.0 111.143 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 119.85 6.73 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.744 2.296 . . . . 0.0 112.311 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.36 -31.7 71.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.9 t -43.15 -39.93 3.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -94.71 -31.61 13.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.447 ' CG1' ' OH ' ' A' ' 82' ' ' TYR . 2.1 t -112.25 86.87 8.4 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.617 0.722 . . . . 0.0 111.065 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -18.47 36.96 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.638 2.226 . . . . 0.0 112.38 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -119.43 34.93 5.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -57.85 -55.81 30.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.469 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 26.8 mt -69.41 -42.37 75.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.96 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 41' ' ' LEU . 3.8 m-20 -34.41 -39.82 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -99.63 -32.6 11.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.8 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.0 mm -103.73 122.55 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.2 -49.16 10.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.4 ' HE3' ' CE ' ' A' ' 48' ' ' MET . 0.8 OUTLIER -115.2 86.73 14.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.614 0.721 . . . . 0.0 110.818 179.862 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.469 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 54.3 Cg_endo -69.78 143.79 51.85 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.75 2.3 . . . . 0.0 112.326 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.4 ' CE ' ' HE3' ' A' ' 46' ' ' LYS . 34.3 tpp -148.29 164.17 34.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -164.36 172.12 13.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -67.93 -25.12 65.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.478 ' C ' ' CD1' ' A' ' 51' ' ' PHE . 1.4 t80 -90.85 -35.3 14.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 42.6 m -61.86 -53.9 49.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.176 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 8.0 ptm -55.43 -42.75 74.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.01 -50.22 58.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -53.33 -54.76 31.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.973 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -56.82 -45.33 82.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.4 tt -57.22 -44.22 83.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -68.06 -17.89 64.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.46 15.42 23.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.155 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.482 ' CE2' HD12 ' A' ' 9' ' ' LEU . 3.5 m-85 56.51 44.16 24.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -91.82 -27.71 17.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.514 ' CE1' ' OD2' ' A' ' 71' ' ' ASP . 27.1 m-85 -101.71 97.96 8.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.998 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.7 mt -97.02 -27.66 14.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -115.15 128.66 56.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 66' ' ' ASP . 64.0 t80 -38.97 -53.74 1.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 65' ' ' PHE . 9.4 t70 -37.84 -48.5 1.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -59.65 -55.69 31.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.805 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.451 ' CD2' ' HG ' ' A' ' 12' ' ' LEU . 19.9 t80 -55.4 -24.44 30.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -83.35 -44.63 14.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -47.1 -52.86 14.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.514 ' OD2' ' CE1' ' A' ' 62' ' ' TYR . 19.0 m-20 -49.01 -63.08 1.2 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -42.54 -46.69 4.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -53.99 -43.13 69.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.849 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.439 ' HB3' ' ND2' ' A' ' 78' ' ' ASN . 50.4 mt -63.17 -44.89 94.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 98.9 mt -48.56 -33.8 5.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.6 t -89.62 -43.19 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.13 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 79' ' ' CYS . 1.2 t -62.31 -70.43 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.795 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.439 ' ND2' ' HB3' ' A' ' 74' ' ' LEU . 89.7 m-20 -36.18 -32.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 77' ' ' SER . 3.6 t -80.57 -47.48 14.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.435 ' CD2' ' CE1' ' A' ' 90' ' ' TYR . 42.4 mt -63.7 -20.26 65.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.8 tttt -91.29 -44.32 9.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.447 ' OH ' ' CG1' ' A' ' 37' ' ' VAL . 4.8 t80 -59.43 -63.19 1.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.408 ' HB3' ' CG2' ' A' ' 87' ' ' THR . 1.1 m-80 -100.41 -178.83 3.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.629 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -122.68 162.05 22.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.056 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.564 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 72.9 mttt -37.48 -37.91 0.22 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -50.26 -48.27 54.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.824 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.408 ' CG2' ' HB3' ' A' ' 83' ' ' ASN . 44.0 p -66.89 165.5 15.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.109 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.505 ' O ' ' N ' ' A' ' 90' ' ' TYR . 1.8 mt -77.1 -62.18 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.465 ' N ' HG22 ' A' ' 88' ' ' ILE . 0.6 OUTLIER -38.53 -26.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.846 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.629 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 3.6 t80 -71.77 -58.34 3.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 31.4 mtt-85 -58.69 -37.68 76.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.77 -36.98 86.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.18 -39.75 75.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 25.5 t -55.2 -35.71 37.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.153 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 5.6 ttp-105 -67.17 -54.4 21.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.536 HD12 ' CE1' ' A' ' 28' ' ' PHE . 96.4 mt -49.23 -47.37 46.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -62.64 -34.65 77.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -76.01 -67.69 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -63.33 -50.09 71.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 103' ' ' VAL . . . -41.96 -45.54 4.89 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.529 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -37.36 -48.32 1.61 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.443 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.63 -42.59 79.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.777 0.322 . . . . 0.0 111.096 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 100' ' ' GLY . 78.6 t -63.15 -40.0 87.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.11 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 79.6 mt -77.33 -26.53 52.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.6 mtt85 -76.22 -43.11 43.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.844 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -69.85 -26.8 64.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.858 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -90.81 -26.2 19.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.084 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -59.23 -48.76 80.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -56.6 -33.82 66.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -66.25 -55.34 16.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.58 -14.0 1.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.059 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -103.77 -34.74 8.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -66.2 -20.48 66.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 10.1 mmt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.858 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 9' ' ' LEU . 19.7 m . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.937 0.398 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -40.11 -51.47 3.5 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.512 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.512 ' CZ ' HD12 ' A' ' 12' ' ' LEU . 57.5 t80 -53.41 -35.84 60.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.89 0.376 . . . . 0.0 110.79 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 6' ' ' SER . 44.5 mt -61.26 -46.67 89.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.98 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.3 mp -61.45 -33.84 58.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.06 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.66 -31.09 71.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.512 HD12 ' CZ ' ' A' ' 8' ' ' PHE . 10.5 mp -76.14 -54.36 6.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -50.83 -40.36 55.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.827 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 15' ' ' THR . 0.6 OUTLIER -75.2 -45.13 42.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.455 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 27.5 m -60.01 -34.35 73.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.156 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.468 ' CD2' ' HD3' ' A' ' 54' ' ' LYS . 54.5 tp -62.74 -41.29 99.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -62.78 -46.34 88.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.589 HE22 ' NE2' ' A' ' 106' ' ' GLN . 22.6 mt-30 -54.71 -35.6 63.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 67.4 mt -71.36 -39.62 71.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 21' ' ' GLU . 9.2 mt-30 -55.44 -48.2 74.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 20' ' ' GLN . 12.2 mm-40 -36.33 -49.94 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.435 ' HD2' ' CB ' ' A' ' 99' ' ' GLN . 24.8 mmtm -49.29 -46.37 46.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 59.9 t0 -54.89 118.89 4.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.822 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.4 p -105.6 -48.06 3.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.64 9.09 45.19 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.472 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 4.8 p-10 40.56 33.73 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.832 0.349 . . . . 0.0 110.855 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.463 HG21 ' CD1' ' A' ' 89' ' ' PHE . 74.2 mt -71.57 -37.31 63.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.563 ' CE1' HD12 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -96.02 -23.11 16.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -42.32 -24.19 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.901 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 28' ' ' PHE . 12.0 mt-10 -129.75 151.57 78.35 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.678 0.751 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 134.87 29.01 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.591 2.194 . . . . 0.0 112.364 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 83.4 t -56.76 119.84 32.82 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.635 0.731 . . . . 0.0 111.126 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.65 127.73 15.11 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.669 2.246 . . . . 0.0 112.413 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 69.2 mt -69.23 -31.32 69.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.9 t -44.01 -39.88 4.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -95.82 -28.23 14.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.5 t -115.75 84.55 12.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.595 0.712 . . . . 0.0 111.147 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -18.01 37.23 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.692 2.261 . . . . 0.0 112.328 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -117.34 32.57 6.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.445 ' CE2' ' HB3' ' A' ' 47' ' ' PRO . 22.4 t80 -57.57 -45.37 85.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.437 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 11.0 mt -79.44 -30.42 42.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -40.23 -38.17 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 46.7 m-70 -109.1 -31.15 7.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.416 HG23 ' CG ' ' A' ' 78' ' ' ASN . 19.0 mm -95.02 100.91 11.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -59.89 -46.41 89.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.1 tttt -132.24 91.91 30.26 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.611 0.719 . . . . 0.0 110.914 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.445 ' HB3' ' CE2' ' A' ' 40' ' ' TYR . 53.4 Cg_endo -69.76 140.05 41.73 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.593 2.195 . . . . 0.0 112.363 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 27.6 tpp -141.27 155.74 45.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -153.23 177.99 10.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.914 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -70.24 -32.93 71.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.449 ' C ' ' CD1' ' A' ' 51' ' ' PHE . 1.1 t80 -87.66 -38.99 15.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.5 m -57.82 -53.42 58.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.19 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 15.5 ptm -55.38 -42.33 73.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.468 ' HD3' ' CD2' ' A' ' 16' ' ' LEU . 8.6 tptm -53.86 -48.84 69.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -51.45 -48.39 62.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -65.98 -37.89 87.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.464 HD23 ' N ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -61.43 -43.74 98.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.464 ' N ' HD23 ' A' ' 57' ' ' LEU . 36.6 mt-10 -72.18 -12.98 61.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.09 12.5 30.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.064 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 59.64 41.42 18.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.979 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.6 mtt85 -91.92 -32.46 15.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.412 ' CZ ' ' OD2' ' A' ' 71' ' ' ASP . 23.5 m-85 -100.33 102.82 14.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.964 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.7 mt -99.24 -27.16 13.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -117.59 145.57 44.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -52.87 -53.88 42.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -38.67 -36.49 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -73.71 -55.46 6.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.472 ' CG ' ' HG ' ' A' ' 12' ' ' LEU . 83.1 t80 -53.14 -31.71 43.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -79.24 -43.55 23.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.835 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -46.55 -43.23 16.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.412 ' OD2' ' CZ ' ' A' ' 62' ' ' TYR . 4.0 m-20 -61.1 -60.35 3.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -43.73 -42.45 5.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -56.45 -46.48 80.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.463 ' HB3' ' ND2' ' A' ' 78' ' ' ASN . 34.4 mt -52.23 -58.33 6.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.426 ' C ' ' O ' ' A' ' 74' ' ' LEU . 48.9 mt -35.84 -48.07 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 48.2 t -71.63 -49.14 48.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 80' ' ' LEU . 5.4 t -60.55 -67.8 0.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.463 ' ND2' ' HB3' ' A' ' 74' ' ' LEU . 89.7 m-20 -38.11 -35.69 0.17 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.5 t -78.13 -40.47 37.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.918 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.512 HD22 ' CE2' ' A' ' 90' ' ' TYR . 85.6 mt -72.34 -12.05 60.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -100.57 -40.86 7.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -73.77 -41.16 62.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.473 ' ND2' ' HB2' ' A' ' 89' ' ' PHE . 69.7 m-80 -94.0 -174.49 3.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.933 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -121.47 -174.98 2.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.073 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.521 ' HD3' ' CZ ' ' A' ' 90' ' ' TYR . 8.3 mmtp -75.51 -20.66 58.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -102.99 45.84 0.94 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 20.7 p -135.59 164.46 27.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.193 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 90' ' ' TYR . 8.9 mt -76.49 -66.39 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.178 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.473 ' HB2' ' ND2' ' A' ' 83' ' ' ASN . 5.6 m-85 -38.29 -26.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.521 ' CZ ' ' HD3' ' A' ' 85' ' ' LYS . 2.7 t80 -72.5 -55.88 6.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 -60.0 -36.7 77.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.33 -37.73 88.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.14 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.06 -37.94 64.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.495 HG23 ' CE1' ' A' ' 90' ' ' TYR . 10.1 t -54.59 -49.22 68.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.151 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -60.46 -40.83 92.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.563 HD12 ' CE1' ' A' ' 28' ' ' PHE . 20.3 mt -57.94 -44.72 87.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 59.1 ttt-85 -65.79 -39.69 91.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -68.44 -63.69 1.01 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.435 ' CB ' ' HD2' ' A' ' 22' ' ' LYS . 48.0 mt-30 -66.09 -50.6 63.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -39.05 -43.32 1.79 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.458 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -43.24 -41.34 4.94 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.477 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.6 -42.34 98.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.839 0.352 . . . . 0.0 111.121 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 96.1 t -67.11 -41.27 86.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 56.7 mt -73.49 -35.51 65.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.5 mtt85 -69.89 -46.52 65.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.589 ' NE2' HE22 ' A' ' 18' ' ' GLN . 14.0 pt20 -62.28 -30.97 71.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -85.97 -27.49 24.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -58.14 -51.3 70.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -50.99 -33.42 24.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -70.93 -51.62 24.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.24 -13.99 6.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.12 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -100.52 -44.15 5.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.9 pttp -55.39 -24.07 27.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 8.5 mmt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.87 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 9' ' ' LEU . 13.1 m . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.94 0.4 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -34.37 -51.43 0.73 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.531 ' CE2' ' O ' ' A' ' 63' ' ' LEU . 53.3 t80 -54.6 -42.76 71.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.92 0.39 . . . . 0.0 110.875 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 6' ' ' SER . 24.6 mt -54.85 -50.42 68.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.941 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.5 mp -52.95 -42.53 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 43.1 tp -54.97 -38.46 67.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.485 ' HG ' ' CG ' ' A' ' 68' ' ' PHE . 10.0 mp -70.91 -44.51 66.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 61.6 mtt-85 -61.37 -48.29 81.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -36.05 73.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.4 m -69.43 -39.12 78.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.486 ' CD1' ' SD ' ' A' ' 53' ' ' MET . 27.3 tp -55.17 -39.8 69.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -68.46 -49.56 58.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -44.16 -42.04 6.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.427 HD11 ' CD2' ' A' ' 72' ' ' PHE . 38.5 mt -65.23 -50.21 66.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -45.15 -40.36 7.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -48.09 -44.82 32.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.3 mmtm -60.38 -37.93 82.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -73.28 79.28 1.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 65.2 p -64.39 -38.18 90.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.08 -9.01 87.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.469 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.5 p30 45.49 34.16 1.54 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.771 0.319 . . . . 0.0 110.848 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 80.1 mt -70.23 -36.61 68.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.084 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.558 ' CE1' HD11 ' A' ' 96' ' ' LEU . 1.1 m-85 -94.7 -5.25 45.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -58.77 -12.85 4.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -138.23 152.26 71.26 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.609 0.718 . . . . 0.0 110.919 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 135.15 29.78 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.643 2.229 . . . . 0.0 112.325 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 81.0 t -61.44 123.88 78.39 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.625 0.726 . . . . 0.0 111.094 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 136.11 31.96 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.646 2.23 . . . . 0.0 112.327 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.3 mt -70.94 -27.73 63.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.5 t -45.13 -45.49 11.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.805 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -89.42 -31.47 17.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.4 t -114.5 86.23 12.16 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.601 0.715 . . . . 0.0 111.145 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -19.26 36.52 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.715 2.277 . . . . 0.0 112.319 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.1 33.51 5.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.481 ' CE2' ' HB3' ' A' ' 47' ' ' PRO . 33.1 t80 -60.12 -57.26 13.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.443 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 24.0 mt -65.16 -41.04 95.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.004 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -39.57 -43.81 1.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.818 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -97.24 -37.64 10.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.7 mm -96.62 99.89 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.5 mmtt -60.56 -52.64 64.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.438 ' HE2' ' CD1' ' A' ' 74' ' ' LEU . 44.1 tttt -117.81 87.88 28.68 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.618 0.723 . . . . 0.0 110.87 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.481 ' HB3' ' CE2' ' A' ' 40' ' ' TYR . 53.5 Cg_endo -69.84 101.53 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.693 2.262 . . . . 0.0 112.264 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 43.5 tpp -98.24 154.88 17.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -154.9 164.77 38.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -59.45 -36.27 75.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.829 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -85.49 -36.76 20.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 62.4 m -62.67 -43.86 97.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.486 ' SD ' ' CD1' ' A' ' 16' ' ' LEU . 18.0 ptm -62.58 -39.56 94.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.404 ' HD3' ' CD2' ' A' ' 16' ' ' LEU . 14.3 tptp -59.52 -46.17 89.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.939 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -53.51 -50.53 65.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -62.86 -35.75 81.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.445 HD23 ' N ' ' A' ' 58' ' ' GLU . 0.4 OUTLIER -65.49 -45.16 84.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.949 179.891 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.445 ' N ' HD23 ' A' ' 57' ' ' LEU . 14.4 mt-10 -66.78 -13.87 61.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.69 8.81 44.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.083 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.407 ' CE2' HD13 ' A' ' 9' ' ' LEU . 27.1 m-85 62.28 44.16 7.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.845 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.5 mtt-85 -94.88 -24.77 16.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -105.66 103.68 13.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.963 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.531 ' O ' ' CE2' ' A' ' 8' ' ' PHE . 8.2 mt -101.08 -28.28 12.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -115.2 147.03 40.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -55.18 -50.65 68.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -43.24 -35.47 1.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -72.99 -57.82 3.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.485 ' CG ' ' HG ' ' A' ' 12' ' ' LEU . 64.1 t80 -53.01 -34.52 56.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -73.1 -50.5 22.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -40.66 -51.14 3.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.96 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.22 -59.53 4.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.427 ' CD2' HD11 ' A' ' 19' ' ' LEU . 34.8 t80 -46.08 -45.05 16.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -54.49 -46.15 73.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.964 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.438 ' CD1' ' HE2' ' A' ' 46' ' ' LYS . 29.4 mt -54.37 -59.7 4.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.838 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 74' ' ' LEU . 66.7 mt -36.12 -35.23 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.16 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 70.2 t -86.59 -48.28 15.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 80' ' ' LEU . 1.7 t -61.92 -66.54 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.808 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 77' ' ' SER . 95.2 m-20 -37.6 -32.91 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.403 ' N ' ' O ' ' A' ' 77' ' ' SER . 11.9 t -80.83 -42.59 21.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 77' ' ' SER . 19.0 mt -74.34 -10.13 59.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.4 ptmm? -101.14 -25.28 14.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.863 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -84.3 -50.28 7.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -109.33 -175.0 2.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.508 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -127.0 159.26 34.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.076 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.555 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 20.7 mttp -35.87 -35.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 84' ' ' ALA . 8.3 t70 -49.59 -49.28 47.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 82.3 p -67.15 172.69 4.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.16 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.514 ' O ' ' N ' ' A' ' 90' ' ' TYR . 7.4 mt -84.17 -64.34 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.21 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.457 ' N ' HG23 ' A' ' 88' ' ' ILE . 0.7 OUTLIER -37.92 -26.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.555 ' CD1' ' HA ' ' A' ' 85' ' ' LYS . 3.2 t80 -70.48 -56.44 6.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.6 mtp85 -58.02 -48.13 81.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.86 -44.78 70.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.136 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.61 -41.4 90.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.9 t -56.02 -46.69 80.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.169 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -61.96 -51.58 67.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.558 HD11 ' CE1' ' A' ' 28' ' ' PHE . 13.9 mt -50.74 -43.23 58.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 46.1 ttt85 -63.27 -38.83 92.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -72.0 -60.16 2.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -64.71 -57.14 9.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -44.08 -34.27 3.08 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.454 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -48.62 -38.49 21.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.509 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.45 -37.31 84.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.33 . . . . 0.0 111.062 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.412 ' HB ' ' CD2' ' A' ' 19' ' ' LEU . 57.6 t -69.1 -36.51 73.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 82.5 mt -82.08 -25.74 34.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.955 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 -79.53 -32.56 42.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.406 ' HA ' ' NE ' ' A' ' 109' ' ' ARG . 7.7 pt20 -82.32 -22.43 35.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -92.76 -22.76 19.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 44.1 ttt-85 -59.7 -50.74 72.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.406 ' NE ' ' HA ' ' A' ' 106' ' ' GLN . 15.0 ptp180 -53.7 -33.75 56.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -64.52 -61.26 2.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -49.81 -17.99 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.166 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -91.87 -38.67 12.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 15.2 pttm -66.25 -27.51 68.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 11.3 mmt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 179.941 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.877 0.37 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.56 -47.55 2.97 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.439 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.466 ' CE2' ' O ' ' A' ' 63' ' ' LEU . 75.4 t80 -54.04 -39.9 66.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.932 0.396 . . . . 0.0 110.898 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.547 HD13 ' CD2' ' A' ' 60' ' ' TYR . 74.4 mt -57.57 -36.96 72.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.6 mp -67.18 -40.71 85.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 27.5 tp -53.58 -39.41 64.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.48 ' HG ' ' CD2' ' A' ' 68' ' ' PHE . 3.0 mp -69.61 -47.19 64.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.412 ' NH1' ' HB3' ' A' ' 13' ' ' ARG . 13.7 mtp-105 -57.53 -37.93 73.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -77.29 -39.58 47.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.0 m -64.49 -44.24 91.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.419 ' CD1' ' SD ' ' A' ' 53' ' ' MET . 26.9 tp -53.67 -38.89 64.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -66.34 -43.09 87.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -57.64 -32.9 67.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.938 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.445 HD12 ' CD1' ' A' ' 72' ' ' PHE . 57.0 mt -69.99 -43.35 71.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -56.21 -37.36 69.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.97 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -43.71 -36.68 2.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -75.08 -35.86 61.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -66.88 114.21 5.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.958 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 47.8 p -117.77 -28.27 6.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.0 3.15 86.52 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.509 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 41.87 44.91 3.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.759 0.314 . . . . 0.0 110.881 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.531 HG22 ' CD1' ' A' ' 89' ' ' PHE . 77.0 mt -91.63 -36.15 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.559 ' CE1' HD12 ' A' ' 96' ' ' LEU . 3.4 m-85 -99.31 -18.79 17.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.845 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -50.09 -18.89 0.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -134.11 152.1 77.76 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.703 0.763 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 130.43 19.26 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.712 2.275 . . . . 0.0 112.338 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.9 t -51.41 121.79 18.0 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.617 0.722 . . . . 0.0 111.104 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 137.39 35.39 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.69 2.26 . . . . 0.0 112.314 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 70.5 mt -74.28 -21.98 59.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.1 t -51.78 -43.85 63.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -91.98 -28.04 17.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.4 t -117.53 87.39 25.43 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.657 0.741 . . . . 0.0 111.11 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -25.37 28.29 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.637 2.225 . . . . 0.0 112.303 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -111.56 32.39 5.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.926 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -55.85 -55.51 31.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.956 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.465 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 36.5 mt -69.34 -39.44 78.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.936 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -39.8 -33.75 0.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -106.42 -32.36 8.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 35.9 mm -100.14 116.56 43.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.078 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -75.55 -46.66 30.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.3 tttp -124.27 87.23 53.96 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.588 0.708 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.465 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 53.6 Cg_endo -69.77 114.93 3.87 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.643 2.229 . . . . 0.0 112.424 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.412 ' O ' ' CG ' ' A' ' 49' ' ' ASP . 46.5 tpp -112.95 163.21 14.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.781 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.412 ' CG ' ' O ' ' A' ' 48' ' ' MET . 5.7 m-20 -161.12 172.64 16.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -66.6 -35.09 79.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -84.61 -42.83 15.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.8 m -58.83 -52.32 66.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.424 ' HG3' ' N ' ' A' ' 54' ' ' LYS . 21.4 ptm -53.84 -44.96 70.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.424 ' N ' ' HG3' ' A' ' 53' ' ' MET . 12.6 tptm -54.01 -52.56 60.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -47.0 -51.56 16.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -62.87 -34.87 78.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.465 HD21 ' N ' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -64.7 -42.71 95.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.465 ' N ' HD21 ' A' ' 57' ' ' LEU . 32.7 mt-10 -77.46 -12.6 59.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.01 9.18 36.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.082 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.547 ' CD2' HD13 ' A' ' 9' ' ' LEU . 92.3 m-85 62.08 44.16 8.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.8 mtt-85 -99.81 -25.03 14.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.536 ' CZ ' ' OD2' ' A' ' 71' ' ' ASP . 17.2 m-85 -105.27 101.83 11.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.466 ' O ' ' CE2' ' A' ' 8' ' ' PHE . 8.6 mt -99.84 -28.58 13.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -114.68 149.81 36.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.936 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.487 ' CD2' ' HG3' ' A' ' 108' ' ' ARG . 22.4 t80 -56.54 -41.26 76.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -51.76 -36.09 46.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -67.96 -60.93 2.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.48 ' CD2' ' HG ' ' A' ' 12' ' ' LEU . 21.1 t80 -54.07 -36.73 63.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -66.55 -47.21 73.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -49.65 -50.29 43.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.536 ' OD2' ' CZ ' ' A' ' 62' ' ' TYR . 4.2 m-20 -50.3 -64.37 0.83 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.474 ' CE2' HD12 ' A' ' 104' ' ' LEU . 15.2 t80 -45.38 -49.16 13.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -48.51 -49.44 35.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.953 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 41.4 mt -54.01 -52.01 62.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.937 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 75.5 mt -40.14 -37.79 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.1 t -87.57 -48.42 15.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.145 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 80' ' ' LEU . 19.0 m -57.01 -68.04 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 77' ' ' SER . 76.6 m-20 -34.49 -36.23 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 77' ' ' SER . 35.6 t -77.42 -47.67 19.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 77' ' ' SER . 66.5 mt -69.17 -10.59 58.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.936 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -104.34 -29.46 10.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -85.52 -51.52 6.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -104.59 178.62 4.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.64 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -117.83 -178.77 3.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 78.4 mttt -63.01 -23.36 67.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -63.15 -39.0 93.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 80.6 p -73.73 164.7 26.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.16 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 90' ' ' TYR . 4.5 mt -78.01 -63.37 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.11 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.531 ' CD1' HG22 ' A' ' 27' ' ' ILE . 0.7 OUTLIER -38.29 -26.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.64 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 3.4 t80 -72.78 -58.63 3.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -59.52 -28.03 66.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.4 -39.09 62.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.112 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.04 -36.58 80.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.065 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.6 t -54.82 -56.93 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.167 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -51.85 -50.33 61.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.559 HD12 ' CE1' ' A' ' 28' ' ' PHE . 29.1 mt -50.87 -50.66 56.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -56.65 -37.61 71.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -72.7 -63.66 1.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -67.27 -55.44 13.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.906 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -44.55 -34.75 3.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.509 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -50.97 -42.0 46.52 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.37 -26.03 64.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.786 0.327 . . . . 0.0 111.084 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 71.0 t -77.13 -43.59 31.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.147 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.474 HD12 ' CE2' ' A' ' 72' ' ' PHE . 50.2 mt -73.1 -34.02 65.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 66.0 mtt180 -73.86 -34.64 64.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -80.52 -18.41 48.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -92.08 -29.82 16.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.081 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.487 ' HG3' ' CD2' ' A' ' 65' ' ' PHE . 14.5 ttm180 -55.53 -46.67 77.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -55.97 -33.85 65.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -65.55 -59.4 4.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -48.09 -20.01 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.089 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -92.09 -45.23 8.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.886 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.2 ptmm? -60.53 -29.43 69.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.424 ' CE ' ' HA ' ' A' ' 8' ' ' PHE . 51.1 mtt . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 9' ' ' LEU . 1.4 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.927 0.394 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -36.09 -48.43 1.1 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.439 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -56.51 -42.13 77.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.853 0.359 . . . . 0.0 110.881 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.474 ' CD1' ' CE2' ' A' ' 60' ' ' TYR . 17.9 mt -56.74 -38.95 73.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.7 mp -66.56 -36.92 78.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.126 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 62.7 tp -58.3 -34.09 70.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.47 ' HG ' ' CG ' ' A' ' 68' ' ' PHE . 3.4 mp -76.75 -45.85 27.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.442 ' HG2' ' CD2' ' A' ' 57' ' ' LEU . 50.9 mtp180 -61.17 -40.2 92.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -75.11 -35.83 61.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.892 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.41 ' N ' ' HG3' ' A' ' 14' ' ' LYS . 22.8 m -69.16 -46.97 66.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.169 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.432 ' CD2' ' HD3' ' A' ' 54' ' ' LYS . 56.3 tp -46.76 -43.98 18.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -64.3 -57.04 10.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.971 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -41.42 -33.14 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.439 HD13 ' CD2' ' A' ' 72' ' ' PHE . 29.6 mt -75.13 -42.26 56.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -55.49 -45.93 76.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.468 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -40.91 -42.02 1.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.982 0.42 . . . . 0.0 110.922 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -56.79 -44.01 81.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -71.19 112.76 7.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.6 p -97.03 -31.71 12.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.147 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.35 -11.01 82.79 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.542 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 m120 56.24 41.3 29.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.814 0.34 . . . . 0.0 110.862 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 73.2 mt -74.57 -44.56 47.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.525 ' CE1' HD13 ' A' ' 96' ' ' LEU . 2.9 m-85 -93.58 -15.48 25.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -48.63 -20.56 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.806 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -131.86 152.06 79.63 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.603 0.716 . . . . 0.0 110.943 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 135.89 31.66 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.72 2.28 . . . . 0.0 112.369 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 77.7 t -67.2 121.74 79.76 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.69 0.757 . . . . 0.0 111.089 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 129.47 17.56 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.703 2.269 . . . . 0.0 112.261 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 69.8 mt -64.5 -29.58 70.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.0 t -49.91 -38.72 37.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -89.85 -33.32 16.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.6 t -119.75 83.82 29.78 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.639 0.733 . . . . 0.0 111.107 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -18.28 36.78 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.7 2.267 . . . . 0.0 112.276 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -110.53 25.68 11.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.84 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -57.62 -54.61 44.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.404 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 17.6 mt -71.12 -37.61 72.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -38.45 -42.09 0.71 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 32.8 m-70 -99.67 -37.05 9.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.9 mm -91.85 121.44 42.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.202 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 47.2 mmtt -79.03 -43.77 23.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.435 ' HE2' ' CD1' ' A' ' 74' ' ' LEU . 64.8 tttt -133.11 86.99 40.67 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.626 0.727 . . . . 0.0 110.945 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.404 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 53.2 Cg_endo -69.72 148.07 64.51 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.707 2.271 . . . . 0.0 112.298 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 42.7 tpp -147.48 164.1 34.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -157.2 -179.12 7.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -75.62 -26.47 57.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -91.76 -35.48 14.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.81 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.7 m -63.6 -50.7 68.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.172 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 11.0 ptm -56.63 -41.28 76.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.432 ' HD3' ' CD2' ' A' ' 16' ' ' LEU . 13.3 tptm -52.88 -49.89 64.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.932 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -51.01 -52.86 38.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -62.54 -38.57 90.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.469 HD23 ' N ' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -59.8 -42.72 94.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.469 ' N ' HD23 ' A' ' 57' ' ' LEU . 27.4 mt-10 -76.1 -10.78 59.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.93 13.65 29.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.091 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.474 ' CE2' ' CD1' ' A' ' 9' ' ' LEU . 37.1 m-85 58.15 38.53 26.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.4 mtt180 -89.83 -24.2 21.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -103.29 93.85 5.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.1 mt -92.32 -25.6 18.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -123.26 137.58 54.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -45.47 -43.97 11.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -43.88 -34.73 1.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -73.97 -60.49 2.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.47 ' CG ' ' HG ' ' A' ' 12' ' ' LEU . 66.7 t80 -52.45 -20.65 3.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.87 -40.63 12.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.837 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -56.99 -55.17 38.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.5 -51.17 49.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.439 ' CD2' HD13 ' A' ' 19' ' ' LEU . 5.4 t80 -54.07 -41.55 68.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -60.66 -37.22 80.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.435 ' CD1' ' HE2' ' A' ' 46' ' ' LYS . 30.0 mt -62.4 -45.96 90.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.9 mt -46.63 -39.75 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 61.1 t -85.78 -49.06 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 78' ' ' ASN . 7.2 t -55.27 -68.94 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 77' ' ' SER . 92.3 m-20 -35.86 -37.58 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.976 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.5 t -74.69 -47.47 31.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.608 ' CD2' ' CE1' ' A' ' 90' ' ' TYR . 88.3 mt -60.99 -26.11 67.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -88.39 -34.86 17.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -73.8 -64.73 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -94.7 -178.55 4.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.55 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -122.94 159.81 27.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.542 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 19.2 mtmt -42.58 -33.04 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -54.63 -43.32 72.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.824 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 61.4 p -70.49 173.58 6.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.186 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.516 ' O ' ' N ' ' A' ' 90' ' ' TYR . 5.7 mt -83.03 -63.48 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.45 ' N ' HG22 ' A' ' 88' ' ' ILE . 0.7 OUTLIER -38.08 -26.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.907 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.608 ' CE1' ' CD2' ' A' ' 80' ' ' LEU . 3.8 t80 -73.52 -63.47 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -52.02 -41.44 62.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.53 -38.82 88.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.1 -40.41 82.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.9 t -54.39 -46.23 69.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -62.45 -53.67 51.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.525 HD13 ' CE1' ' A' ' 28' ' ' PHE . 48.7 mt -48.85 -46.61 42.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 46.9 ttt180 -62.45 -38.24 89.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -71.6 -65.44 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -63.9 -53.06 56.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -44.47 -30.48 2.1 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.467 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -49.63 -43.49 37.22 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.465 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.86 -27.27 69.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.343 . . . . 0.0 111.12 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.409 ' HB ' ' CD2' ' A' ' 19' ' ' LEU . 62.1 t -76.13 -36.9 31.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 68.7 mt -80.41 -29.01 37.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.403 ' HA ' ' NH1' ' A' ' 108' ' ' ARG . 58.9 mtm180 -78.18 -38.22 43.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.829 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -72.06 -26.17 62.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -86.21 -42.16 14.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.403 ' NH1' ' HA ' ' A' ' 105' ' ' ARG . 7.4 ttm105 -47.94 -47.52 32.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.816 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -55.36 -34.25 64.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 112' ' ' GLU . 8.8 mt-30 -65.57 -63.87 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.937 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -41.88 -24.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.055 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 110' ' ' GLN . 19.3 mt-10 -86.97 -48.16 8.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 27.6 pttt -56.89 -28.29 61.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 6.9 mmt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.841 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 9' ' ' LEU . 15.9 p . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.868 0.366 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.09 -41.54 1.02 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.445 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.45 ' HA ' ' CE ' ' A' ' 114' ' ' MET . 76.7 t80 -62.25 -41.58 98.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.86 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.604 ' CD1' ' CE2' ' A' ' 60' ' ' TYR . 79.6 mt -57.11 -42.65 81.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.0 mp -63.16 -35.0 70.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 67.7 tp -62.16 -37.82 86.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.436 ' HG ' ' CG ' ' A' ' 68' ' ' PHE . 8.7 mp -69.6 -53.93 16.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -50.93 -40.97 58.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.831 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.418 ' C ' ' HD2' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -72.25 -44.07 63.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 16' ' ' LEU . 46.7 m -60.56 -56.67 18.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 15' ' ' THR . 58.4 tp -36.86 -45.96 0.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.904 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -57.91 -50.74 72.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.935 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -54.34 -19.8 6.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.413 HD11 ' CD2' ' A' ' 72' ' ' PHE . 45.8 mt -92.77 -35.68 13.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.482 ' HG2' ' CD1' ' A' ' 50' ' ' PHE . 10.8 mt-30 -69.32 -34.54 74.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -60.07 -40.63 90.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -54.03 -32.19 53.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -81.97 81.39 7.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.83 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.4 p -62.36 -32.77 73.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.18 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.07 -22.73 73.34 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.518 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 m120 62.32 38.86 12.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.875 0.369 . . . . 0.0 110.937 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 59.8 mt -74.97 -42.31 45.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.12 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.565 ' CE1' HD12 ' A' ' 96' ' ' LEU . 1.5 m-85 -90.54 -7.44 52.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.946 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -56.35 -13.62 2.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -141.6 150.68 58.16 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.632 0.73 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 141.36 45.26 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 112.377 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.4 t -71.68 124.03 90.31 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.678 0.751 . . . . 0.0 111.146 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 126.35 13.21 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.659 2.239 . . . . 0.0 112.39 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 73.1 mt -59.8 -31.78 70.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.6 t -46.77 -37.15 8.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.843 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -90.87 -34.77 15.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.0 t -118.12 86.59 26.75 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.669 0.747 . . . . 0.0 111.07 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -18.14 37.08 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.611 2.207 . . . . 0.0 112.394 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -114.71 30.61 7.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -58.68 -51.5 69.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.453 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 30.9 mt -73.76 -39.78 63.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.958 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 41' ' ' LEU . 7.4 t0 -35.09 -40.34 0.12 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -102.18 -28.99 11.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.3 mm -99.11 118.6 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.9 mmtm -77.17 -45.51 26.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.954 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 36.4 tttt -132.28 89.36 37.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.525 0.678 . . . . 0.0 110.921 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.453 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 54.2 Cg_endo -69.72 153.3 69.27 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.687 2.258 . . . . 0.0 112.372 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 38.7 tpp -151.01 162.14 41.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.821 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -153.2 177.03 11.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.482 ' CD1' ' HG2' ' A' ' 20' ' ' GLN . 5.3 m-85 -73.27 -35.79 66.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -82.62 -40.05 21.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 56.0 m -58.57 -49.76 76.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 17.2 ptm -59.18 -40.26 85.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.1 tptt -55.7 -52.63 63.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -48.22 -52.87 19.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -59.95 -40.69 89.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.436 ' CD1' ' HB3' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -58.78 -43.59 90.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.984 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.417 ' N ' HD21 ' A' ' 57' ' ' LEU . 60.6 mt-10 -73.13 -11.64 60.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.96 15.23 24.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.604 ' CE2' ' CD1' ' A' ' 9' ' ' LEU . 79.2 m-85 57.09 44.78 21.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.907 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.7 mtt85 -95.22 -32.87 12.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.818 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.449 ' CZ ' ' OD2' ' A' ' 71' ' ' ASP . 25.1 m-85 -99.13 105.19 17.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.971 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.2 mt -103.08 -25.12 13.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -118.55 137.88 52.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -45.88 -54.08 8.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -39.06 -40.11 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -66.75 -62.97 1.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.436 ' CG ' ' HG ' ' A' ' 12' ' ' LEU . 50.2 t80 -49.98 -32.34 14.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -74.29 -46.79 38.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -46.19 -45.17 16.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.449 ' OD2' ' CZ ' ' A' ' 62' ' ' TYR . 3.0 m-20 -58.18 -61.63 2.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.413 ' CD2' HD11 ' A' ' 19' ' ' LEU . 20.1 t80 -44.65 -38.0 4.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -65.87 -48.25 72.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.41 ' HB3' ' ND2' ' A' ' 78' ' ' ASN . 14.7 mt -47.66 -46.7 29.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 50.2 mt -52.81 -43.16 44.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 84.9 t -74.82 -55.69 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.188 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 78' ' ' ASN . 32.7 p -57.06 -67.74 0.29 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.88 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.453 ' C ' ' O ' ' A' ' 77' ' ' SER . 97.5 m-20 -33.97 -42.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.2 t -69.74 -50.27 45.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.955 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.602 ' CD2' ' CE1' ' A' ' 90' ' ' TYR . 19.7 mt -60.93 -23.45 65.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.942 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -86.41 -33.21 20.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -76.18 -62.68 1.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -104.67 -176.63 3.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.61 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -119.29 -175.26 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.102 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.5 ' HD3' ' CE1' ' A' ' 90' ' ' TYR . 21.3 mmtp -58.02 -31.15 66.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -52.75 -55.41 22.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.895 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 77.3 p -56.89 171.38 0.35 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.168 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 90' ' ' TYR . 6.2 mt -85.83 -63.71 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.193 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.457 ' N ' HG22 ' A' ' 88' ' ' ILE . 0.9 OUTLIER -38.4 -26.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.915 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.61 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 4.1 t80 -72.31 -53.34 12.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 9.7 mtt-85 -59.07 -39.47 82.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.17 -42.58 93.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.157 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.1 -41.11 97.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.091 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.7 t -55.71 -44.79 78.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -65.85 -52.88 46.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.782 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.565 HD12 ' CE1' ' A' ' 28' ' ' PHE . 24.9 mt -47.04 -42.21 18.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.821 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -67.5 -39.41 85.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -67.57 -61.61 1.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -69.53 -52.34 27.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.978 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -46.77 -28.21 3.62 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -53.74 -48.77 60.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.42 -29.15 65.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.782 0.325 . . . . 0.0 111.069 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.9 t -70.32 -41.23 78.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 88.2 mt -73.1 -46.26 52.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.453 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 3.4 mpt_? -59.17 -44.17 92.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -69.32 -21.85 63.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -91.31 -29.0 17.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.072 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 -58.06 -50.79 72.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -54.43 -33.39 59.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -69.75 -49.84 49.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.962 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.91 -16.87 46.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.017 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -98.09 -42.98 7.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 20.3 pttt -60.66 -20.65 61.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.45 ' CE ' ' HA ' ' A' ' 8' ' ' PHE . 6.0 mtt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.917 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 9' ' ' LEU . 4.5 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.948 0.404 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.86 -48.42 2.5 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.436 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -57.59 -39.05 75.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.884 0.373 . . . . 0.0 110.942 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.475 ' CD1' ' CE2' ' A' ' 60' ' ' TYR . 17.4 mt -59.63 -49.35 78.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.5 mp -51.99 -56.41 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.103 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.9 tp -44.16 -52.59 7.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 55.6 mt -54.42 -49.5 69.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 83.1 mtt180 -56.41 -50.11 72.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.82 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.423 ' C ' ' HD2' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -59.69 -42.59 93.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.406 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 98.5 m -63.84 -52.82 58.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.164 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.2 tp -46.05 -38.12 7.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -68.95 -50.66 47.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.445 HE22 ' NE2' ' A' ' 106' ' ' GLN . 23.1 mt-30 -47.99 -46.73 33.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.942 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.9 mt -57.14 -49.06 77.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 23' ' ' ASP . 12.3 mt-30 -44.17 -51.96 7.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 20' ' ' GLN . 5.9 mm-40 -37.95 -46.07 0.94 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.469 ' HB2' ' CD2' ' A' ' 96' ' ' LEU . 27.9 mmtm -54.14 -44.6 71.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 20' ' ' GLN . 35.5 t0 -72.82 91.69 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 78.1 p -79.17 -20.86 47.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.37 -14.37 57.28 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.462 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 58.01 29.06 17.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 0.0 110.832 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.447 HG21 ' CD1' ' A' ' 89' ' ' PHE . 78.4 mt -66.62 -38.26 81.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.565 ' CE1' HD12 ' A' ' 96' ' ' LEU . 0.3 OUTLIER -96.05 -8.83 32.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 t -59.97 -12.72 8.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.838 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -137.99 151.84 70.89 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.623 0.725 . . . . 0.0 110.953 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 137.05 34.39 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.685 2.257 . . . . 0.0 112.359 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.6 t -67.58 124.45 89.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.584 0.707 . . . . 0.0 111.187 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 135.08 29.6 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.668 2.246 . . . . 0.0 112.354 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 58.3 mt -73.5 -28.01 61.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.838 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.7 p -48.22 -40.05 23.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -90.85 -24.81 20.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.4 t -124.12 87.24 53.6 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.594 0.711 . . . . 0.0 111.156 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -19.89 35.53 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.672 2.248 . . . . 0.0 112.336 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -115.49 32.49 6.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -58.51 -57.45 12.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.465 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 17.3 mt -67.05 -36.0 81.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.934 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -43.14 -37.6 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.403 ' HB2' ' CD1' ' A' ' 82' ' ' TYR . 35.7 m-70 -99.94 -36.36 9.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.431 ' CD1' ' HD3' ' A' ' 81' ' ' LYS . 10.8 mm -102.83 107.0 21.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -67.0 -43.14 83.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -122.49 87.19 48.97 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.58 0.705 . . . . 0.0 110.912 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.465 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 53.7 Cg_endo -69.78 113.79 3.49 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.625 2.217 . . . . 0.0 112.354 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.418 ' C ' ' CG ' ' A' ' 49' ' ' ASP . 37.6 tpp -111.79 156.5 21.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.418 ' CG ' ' C ' ' A' ' 48' ' ' MET . 0.8 OUTLIER -162.65 163.32 27.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.806 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -58.56 -34.67 71.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -81.74 -39.47 24.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 75.3 m -64.68 -50.54 66.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 19.5 ptm -58.74 -36.44 74.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.65 -52.34 66.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.942 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 -50.23 -50.33 50.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -61.14 -41.34 96.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 tt -59.4 -44.12 92.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -70.54 -23.17 62.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.37 11.86 13.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.083 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.475 ' CE2' ' CD1' ' A' ' 9' ' ' LEU . 9.0 m-85 58.29 43.59 19.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.5 mtt-85 -92.01 -25.79 18.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.519 ' CZ ' ' OD2' ' A' ' 71' ' ' ASP . 26.3 m-85 -103.16 104.92 15.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.4 mt -102.47 -26.56 13.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -114.77 139.01 50.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -49.21 -45.74 44.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -51.69 -37.38 50.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -68.39 -42.28 79.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.838 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -67.47 -35.52 79.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -69.73 -49.91 48.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -42.14 -55.66 3.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.519 ' OD2' ' CZ ' ' A' ' 62' ' ' TYR . 13.2 m-20 -43.86 -57.95 3.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -48.35 -56.43 8.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -44.38 -56.5 4.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 78' ' ' ASN . 12.8 mt -41.16 -54.75 2.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 87.8 mt -45.81 -54.39 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 46.5 t -61.87 -54.34 35.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.154 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 80' ' ' LEU . 33.7 p -60.52 -70.18 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 74' ' ' LEU . 84.9 m-20 -38.21 -31.21 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.418 ' N ' ' O ' ' A' ' 77' ' ' SER . 30.0 t -80.09 -41.42 25.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 77' ' ' SER . 70.8 mt -74.84 -18.83 60.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.431 ' HD3' ' CD1' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -89.84 -40.69 12.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.86 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.403 ' CD1' ' HB2' ' A' ' 43' ' ' HIS . 21.1 t80 -72.85 -48.52 36.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.94 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -100.57 174.27 6.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -117.45 160.23 21.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.112 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.52 ' HA ' ' CG ' ' A' ' 90' ' ' TYR . 8.4 mtmm -45.42 -38.06 5.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.44 -40.44 36.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 49.2 p -71.11 175.14 5.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.171 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.511 ' O ' ' N ' ' A' ' 90' ' ' TYR . 3.3 mt -88.94 -61.23 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.46 ' N ' HG21 ' A' ' 88' ' ' ILE . 0.7 OUTLIER -38.24 -26.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.52 ' CG ' ' HA ' ' A' ' 85' ' ' LYS . 4.7 t80 -68.45 -51.41 43.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.94 -47.84 73.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.924 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -51.37 -39.83 57.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.22 -40.69 86.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.3 t -54.32 -49.91 60.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.148 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -58.69 -47.56 84.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.565 HD12 ' CE1' ' A' ' 28' ' ' PHE . 47.7 mt -53.3 -47.65 69.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.958 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -62.3 -35.98 80.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.787 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -71.08 -66.25 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.453 ' CB ' ' HD2' ' A' ' 22' ' ' LYS . 49.5 mt-30 -63.34 -52.76 60.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -42.72 -38.45 3.14 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.555 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -44.86 -35.93 4.65 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.504 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.92 -35.65 67.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 0.0 111.084 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.3 t -69.39 -34.8 64.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.146 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 79.9 mt -81.26 -20.79 40.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.7 mtp180 -89.04 -35.14 16.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.445 ' NE2' HE22 ' A' ' 18' ' ' GLN . 0.0 OUTLIER -72.37 -29.19 63.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -87.56 -37.36 16.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 33.3 ttp85 -49.69 -51.91 34.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -48.54 -35.83 14.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.404 ' O ' ' N ' ' A' ' 112' ' ' GLU . 10.1 mt-30 -66.03 -58.64 5.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -42.35 -25.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 110' ' ' GLN . 29.7 mt-10 -91.38 -45.22 8.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 114' ' ' MET . 3.0 ptmm? -57.65 -28.4 63.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.803 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.422 ' C ' ' O ' ' A' ' 113' ' ' LYS . 14.1 mmt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 9' ' ' LEU . 10.1 p . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.965 0.412 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.32 -49.51 2.91 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.441 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.479 ' CE2' ' O ' ' A' ' 63' ' ' LEU . 43.6 t80 -56.51 -35.87 68.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 110.857 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.463 HD13 ' CZ ' ' A' ' 60' ' ' TYR . 28.0 mt -63.73 -54.22 38.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.9 mp -49.68 -54.21 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 19.8 tp -46.21 -31.82 2.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.446 ' HB3' ' CD1' ' A' ' 57' ' ' LEU . 83.4 mt -79.7 -49.23 12.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -60.03 -31.98 70.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -83.36 -35.51 25.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.431 ' N ' ' HG3' ' A' ' 14' ' ' LYS . 8.4 m -70.44 -42.57 71.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.152 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.458 ' CD2' ' HD3' ' A' ' 54' ' ' LYS . 22.2 tp -56.5 -32.71 65.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -73.09 -40.5 64.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -58.92 -33.22 70.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.9 mt -66.95 -53.01 35.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.496 ' HG2' ' CD1' ' A' ' 50' ' ' PHE . 9.3 mt-30 -48.83 -43.44 38.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -40.97 -37.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.422 ' NZ ' ' OE1' ' A' ' 99' ' ' GLN . 36.9 mmtt -67.43 -38.4 84.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 20' ' ' GLN . 23.2 t0 -69.91 83.14 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 67.6 p -75.07 -3.48 32.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.421 ' C ' ' CG ' ' A' ' 26' ' ' ASN . . . -107.46 -5.73 34.03 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.421 ' CG ' ' C ' ' A' ' 25' ' ' GLY . 0.7 OUTLIER 46.21 32.23 1.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.826 0.346 . . . . 0.0 110.889 -179.822 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 79.4 mt -72.26 -41.5 66.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.493 ' CE1' HD13 ' A' ' 96' ' ' LEU . 4.0 m-85 -90.4 -24.75 20.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -41.18 -24.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 28' ' ' PHE . 15.9 mt-10 -127.75 152.28 76.74 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.633 0.73 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 133.46 25.68 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.706 2.271 . . . . 0.0 112.334 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.1 t -58.04 121.46 50.97 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.659 0.742 . . . . 0.0 111.087 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 138.66 38.25 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.644 2.229 . . . . 0.0 112.366 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.9 mt -72.26 -26.48 62.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.9 m -51.37 -45.28 62.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -86.6 -29.61 22.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.6 t -122.02 84.8 45.4 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.599 0.714 . . . . 0.0 111.173 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -18.44 37.19 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.683 2.255 . . . . 0.0 112.328 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -114.24 29.71 7.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.841 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -56.67 -56.36 22.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 43' ' ' HIS . 11.2 mt -70.2 -39.17 75.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.403 ' OD1' ' CD2' ' A' ' 43' ' ' HIS . 1.2 t70 -38.63 -27.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 41' ' ' LEU . 42.7 m-70 -114.31 -37.17 4.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.0 mm -94.08 120.5 43.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.157 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.4 -48.54 16.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -123.84 86.47 53.33 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.567 0.699 . . . . 0.0 110.945 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.444 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 53.7 Cg_endo -69.76 118.19 5.53 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.7 2.267 . . . . 0.0 112.339 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 32.9 tpp -116.6 162.87 16.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -159.46 177.44 10.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.496 ' CD1' ' HG2' ' A' ' 20' ' ' GLN . 11.2 m-85 -66.26 -47.77 72.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.462 ' CE1' ' NE2' ' A' ' 55' ' ' GLN . 16.0 t80 -71.61 -41.87 68.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 94.7 m -60.55 -51.06 71.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.112 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.561 ' CE ' ' CE1' ' A' ' 68' ' ' PHE . 2.8 ppp? -58.62 -36.74 74.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.464 ' N ' ' HG3' ' A' ' 53' ' ' MET . 19.0 tptt -60.69 -53.68 54.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.853 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.462 ' NE2' ' CE1' ' A' ' 51' ' ' PHE . 32.6 mm-40 -47.74 -53.66 14.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -58.62 -38.79 78.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.467 HD23 ' N ' ' A' ' 58' ' ' GLU . 7.2 tt -60.35 -59.39 5.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.467 ' N ' HD23 ' A' ' 57' ' ' LEU . 6.3 pt-20 -59.05 -20.57 54.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.65 6.7 16.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.463 ' CZ ' HD13 ' A' ' 9' ' ' LEU . 36.2 m-85 61.75 43.56 9.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.953 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.8 mtt-85 -97.37 -22.93 16.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -106.99 98.8 8.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.479 ' O ' ' CE2' ' A' ' 8' ' ' PHE . 7.4 mt -94.49 -28.97 15.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -113.5 138.15 50.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -47.55 -52.17 18.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -40.3 -36.82 0.57 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -69.95 -63.75 1.02 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.561 ' CE1' ' CE ' ' A' ' 53' ' ' MET . 53.7 t80 -47.9 -34.51 9.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -78.1 -25.0 47.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -66.2 -55.57 15.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 72' ' ' PHE . 0.3 OUTLIER -53.79 -48.59 69.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.482 ' N ' ' OD1' ' A' ' 71' ' ' ASP . 8.9 t80 -53.68 -43.72 69.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -53.72 -52.03 61.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 50.0 mt -45.73 -55.32 6.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 78.8 mt -39.74 -31.58 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.431 HG13 ' CD1' ' A' ' 80' ' ' LEU . 91.2 t -93.23 -46.47 13.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 80' ' ' LEU . 1.0 OUTLIER -62.39 -65.75 0.64 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.869 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -39.59 -47.15 1.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 44.2 t -68.37 -31.89 71.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 77' ' ' SER . 65.8 mt -83.2 -14.03 54.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.1 pttt -102.22 -14.16 17.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -90.15 -44.5 9.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.434 ' HB2' ' CG2' ' A' ' 87' ' ' THR . 12.2 p30 -125.56 -179.39 4.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.597 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -116.08 -178.3 3.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.067 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.38 -37.33 36.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.981 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -44.87 -53.28 7.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.434 ' CG2' ' HB2' ' A' ' 83' ' ' ASN . 72.8 p -62.79 167.99 4.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.502 ' O ' ' N ' ' A' ' 90' ' ' TYR . 3.5 mt -83.43 -61.89 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.471 ' N ' HG23 ' A' ' 88' ' ' ILE . 1.3 m-85 -38.37 -26.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.597 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 2.8 t80 -70.75 -56.8 5.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 29.6 mtt180 -61.07 -42.66 98.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.95 -40.63 98.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.059 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.87 95.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.141 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.5 t -54.53 -37.51 38.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -65.91 -54.78 22.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.833 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.493 HD13 ' CE1' ' A' ' 28' ' ' PHE . 28.0 mt -47.98 -48.2 32.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 39.2 ttt180 -60.51 -41.72 94.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -66.95 -62.72 1.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.422 ' OE1' ' NZ ' ' A' ' 22' ' ' LYS . 42.3 mt-30 -67.28 -53.91 25.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -39.56 -44.79 2.51 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.485 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -41.57 -48.26 4.84 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.519 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.93 -36.22 65.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.833 0.349 . . . . 0.0 111.064 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 97.9 t -73.92 -44.12 51.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 88.7 mt -75.97 -18.42 59.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 20.9 mtt-85 -88.32 -31.35 18.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.463 ' HA ' ' NE ' ' A' ' 109' ' ' ARG . 11.1 pt20 -84.6 -22.75 29.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -92.07 -24.86 19.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -58.71 -42.79 89.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.463 ' NE ' ' HA ' ' A' ' 106' ' ' GLN . 13.4 ptp180 -61.17 -33.13 72.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -66.86 -54.08 25.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.64 -15.97 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.071 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -100.5 -44.11 5.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.874 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.3 pttp -57.37 -19.95 26.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 3.3 mtt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.887 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.873 0.368 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -40.12 -53.95 3.2 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.494 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.468 ' CZ ' HD11 ' A' ' 12' ' ' LEU . 21.5 t80 -50.91 -42.61 59.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.947 0.403 . . . . 0.0 110.905 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.54 ' CD1' ' CE2' ' A' ' 60' ' ' TYR . 15.2 mt -55.15 -52.04 64.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.9 mp -56.09 -53.55 37.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 19.9 tp -45.99 -30.76 1.93 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.468 HD11 ' CZ ' ' A' ' 8' ' ' PHE . 30.6 mt -81.35 -49.45 10.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 -58.2 -35.57 71.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.9 -36.31 56.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.8 m -71.66 -38.41 70.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.447 ' CD2' ' HD3' ' A' ' 54' ' ' LYS . 25.8 tp -57.05 -35.67 69.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.974 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -74.04 -42.75 59.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -51.09 -42.81 60.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.926 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.3 mt -60.21 -46.43 89.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.928 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' A' ' 23' ' ' ASP . 10.0 mt-30 -47.82 -43.57 28.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -42.82 -42.69 3.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.1 mmtt -60.33 -35.9 76.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 20' ' ' GLN . 13.7 t70 -85.17 91.38 8.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 79.4 p -74.13 -31.6 62.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.101 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.46 -14.48 82.11 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.491 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 54.11 38.85 29.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.422 HG22 ' CD1' ' A' ' 89' ' ' PHE . 72.9 mt -70.81 -41.21 77.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.564 ' CE1' HD12 ' A' ' 96' ' ' LEU . 1.4 m-85 -92.72 -6.69 48.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -56.57 -13.18 2.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -141.58 152.34 62.99 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.638 0.733 . . . . 0.0 110.87 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 150.46 68.2 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.72 2.28 . . . . 0.0 112.311 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 65.9 t -79.35 124.89 83.98 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.659 0.742 . . . . 0.0 111.091 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 140.22 42.3 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.632 2.222 . . . . 0.0 112.393 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.4 mt -78.54 -29.12 46.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 92.8 p -51.79 -35.72 44.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -92.46 -29.09 16.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.836 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.3 t -122.58 86.83 49.21 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.599 0.714 . . . . 0.0 111.135 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -18.93 36.9 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.65 2.233 . . . . 0.0 112.342 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -115.44 31.96 6.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -59.56 -57.95 10.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.977 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.458 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 13.2 mt -68.66 -32.39 72.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 41' ' ' LEU . 12.2 t0 -37.23 -34.83 0.09 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.802 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -111.31 -32.8 6.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 11.4 mm -90.92 127.41 43.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.442 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 3.7 mptt -86.41 -41.74 14.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.46 ' HE2' ' CD1' ' A' ' 74' ' ' LEU . 44.4 tttt -132.94 87.96 38.63 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.62 0.724 . . . . 0.0 110.911 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.458 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 54.5 Cg_endo -69.73 107.08 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.726 2.284 . . . . 0.0 112.362 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 42.1 tpp -108.53 156.57 19.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -153.68 168.67 25.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -59.56 -36.28 75.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -81.89 -50.62 8.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.1 m -50.79 -54.85 20.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.099 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 27.5 ptm -53.53 -41.88 66.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.807 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.447 ' HD3' ' CD2' ' A' ' 16' ' ' LEU . 21.3 tptm -58.2 -48.94 78.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -49.49 -45.43 46.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -67.08 -33.29 75.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.836 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.457 HD22 ' N ' ' A' ' 58' ' ' GLU . 6.5 tt -64.36 -52.25 59.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.457 ' N ' HD22 ' A' ' 57' ' ' LEU . 5.1 pt-20 -64.16 -21.33 66.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.422 ' CB ' ' NH1' ' A' ' 61' ' ' ARG . . . -85.63 10.04 14.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.54 ' CE2' ' CD1' ' A' ' 9' ' ' LEU . 57.1 m-85 59.29 45.41 14.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.422 ' NH1' ' CB ' ' A' ' 59' ' ' ALA . 29.1 mtt85 -96.6 -28.21 14.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -103.05 99.39 9.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.458 ' O ' ' CE2' ' A' ' 8' ' ' PHE . 8.3 mt -95.24 -26.65 15.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.943 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -120.69 137.08 54.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 67' ' ' ASP . 8.5 t80 -44.36 -56.5 4.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 65' ' ' PHE . 3.4 m-20 -34.86 -33.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.871 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 65' ' ' PHE . 10.2 t0 -77.44 -56.68 4.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -53.88 -20.44 5.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -90.9 -30.9 16.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -60.14 -50.39 73.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.471 ' CG ' ' N ' ' A' ' 72' ' ' PHE . 0.3 OUTLIER -56.35 -51.35 68.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.471 ' N ' ' CG ' ' A' ' 71' ' ' ASP . 3.1 t80 -50.95 -47.37 61.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -50.09 -48.31 53.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.46 ' CD1' ' HE2' ' A' ' 46' ' ' LYS . 80.6 mt -55.17 -55.37 32.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 74' ' ' LEU . 88.7 mt -37.47 -30.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.07 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 74' ' ' LEU . 98.6 t -94.72 -39.68 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 78' ' ' ASN . 1.4 t -63.28 -67.74 0.4 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.43 ' CG ' ' O ' ' A' ' 74' ' ' LEU . 0.8 OUTLIER -36.67 -44.18 0.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.929 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 11.2 t -66.11 -48.09 72.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.949 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.444 HD23 ' CZ ' ' A' ' 90' ' ' TYR . 82.5 mt -61.4 -23.07 65.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.1 ttmt -85.68 -52.43 5.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.947 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -71.11 -61.57 1.72 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -68.28 -175.83 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.599 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -139.26 160.84 38.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.463 ' HG3' ' CZ ' ' A' ' 90' ' ' TYR . 14.1 mtmm -57.52 -17.72 15.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -76.76 -28.52 55.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.964 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 13.8 p -85.53 175.05 9.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 90' ' ' TYR . 1.7 mt -84.51 -61.96 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.172 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.446 ' N ' HG21 ' A' ' 88' ' ' ILE . 1.5 m-85 -39.25 -25.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.599 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 3.7 t80 -74.63 -57.13 4.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -62.9 -34.33 77.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.8 -37.52 86.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.48 -38.19 80.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.105 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.0 t -57.77 -43.61 84.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -61.78 -55.49 29.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.817 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.564 HD12 ' CE1' ' A' ' 28' ' ' PHE . 76.1 mt -47.38 -47.07 26.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 47.7 ttt85 -59.76 -41.34 90.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -74.4 -66.34 0.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -61.59 -53.93 49.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -46.85 -30.04 4.71 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.5 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -52.19 -36.28 44.21 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.41 -35.45 80.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.787 0.327 . . . . 0.0 111.075 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.2 t -68.49 -45.61 81.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 26.5 mt -70.77 -27.35 63.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 29.8 mtt85 -76.21 -43.11 43.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.818 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -69.21 -28.87 66.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -85.11 -28.45 25.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 40.6 ttt-85 -54.36 -55.64 26.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.48 -32.67 28.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -68.83 -57.81 5.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -51.97 -19.13 1.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -95.73 -45.7 6.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 28.6 pttt -54.93 -18.98 5.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 10.1 mmt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.852 179.896 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 9' ' ' LEU . 5.1 p . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.89 0.376 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.42 -43.51 1.53 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.452 ' CE2' ' O ' ' A' ' 63' ' ' LEU . 38.4 t80 -58.09 -40.93 82.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.896 0.379 . . . . 0.0 110.906 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.543 HD11 ' CE2' ' A' ' 60' ' ' TYR . 47.0 mt -61.03 -35.51 77.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mp -67.99 -47.82 77.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.434 ' CD2' ' HB3' ' A' ' 111' ' ' ALA . 19.7 tp -50.99 -42.24 60.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.7 mt -66.17 -54.5 24.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -50.19 -37.05 33.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.422 ' C ' ' HD2' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -75.78 -36.85 59.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 179.895 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 16' ' ' LEU . 93.1 m -68.31 -59.11 3.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.46 ' CD2' ' HG2' ' A' ' 54' ' ' LYS . 25.1 tp -37.37 -36.51 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.918 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -67.07 -56.13 11.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.843 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.413 ' NE2' ' HD3' ' A' ' 14' ' ' LYS . 73.6 mt-30 -44.63 -43.77 8.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.9 mt -63.44 -44.81 93.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -52.15 -41.79 62.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -44.26 -45.11 8.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.425 ' HB2' ' CD2' ' A' ' 96' ' ' LEU . 48.9 mmtt -55.28 -34.73 64.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -76.98 119.1 20.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.5 p -116.9 -29.6 5.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.079 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.25 0.33 88.97 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 51.72 37.51 20.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.795 0.331 . . . . 0.0 110.863 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 81.3 mt -81.26 -42.91 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.557 ' CE2' HD13 ' A' ' 96' ' ' LEU . 1.4 m-85 -96.48 -14.22 22.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -58.11 -13.9 5.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -141.27 152.07 63.24 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.606 0.717 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 157.3 61.0 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.696 2.264 . . . . 0.0 112.361 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.6 t -83.62 125.06 74.56 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.697 0.76 . . . . 0.0 111.162 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 128.13 15.57 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.684 2.256 . . . . 0.0 112.363 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.1 mt -69.11 -37.36 78.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.957 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 79.2 p -48.55 -36.21 14.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -90.6 -29.9 17.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.958 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.5 t -126.67 85.34 60.78 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.718 0.77 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -18.92 36.53 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.669 2.246 . . . . 0.0 112.362 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.465 ' OD2' ' CD2' ' A' ' 43' ' ' HIS . 8.1 t70 -104.86 21.03 17.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -58.0 -64.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.439 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 17.8 mt -60.91 -40.33 92.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.443 ' CG ' ' OD1' ' A' ' 39' ' ' ASP . 0.6 OUTLIER -39.72 -33.14 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.85 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.465 ' CD2' ' OD2' ' A' ' 39' ' ' ASP . 61.7 m-70 -107.17 -36.51 6.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 29.3 mm -98.07 108.92 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -68.17 -46.96 69.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.795 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 42.9 tttp -123.37 87.03 51.89 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.558 0.694 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.439 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 54.0 Cg_endo -69.72 108.3 2.04 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.743 2.296 . . . . 0.0 112.283 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 32.8 tpp -112.38 154.23 26.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -152.1 176.58 11.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.432 ' CD2' ' HB2' ' A' ' 28' ' ' PHE . 6.9 m-85 -67.32 -39.19 85.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -81.9 -33.45 30.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 22.9 m -68.03 -51.96 40.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.401 ' HG3' ' N ' ' A' ' 54' ' ' LYS . 2.5 ppp? -60.96 -30.55 70.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.85 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.46 ' HG2' ' CD2' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -63.77 -50.19 70.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.1 mm-40 -49.96 -48.5 52.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.963 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -61.51 -44.37 97.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 tt -56.89 -44.44 82.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -67.36 -22.46 65.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.45 24.0 4.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.06 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.543 ' CE2' HD11 ' A' ' 9' ' ' LEU . 3.2 m-85 48.32 41.4 16.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.934 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 30.9 mtt-85 -86.4 -24.29 25.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.4 ' CE1' ' OD2' ' A' ' 71' ' ' ASP . 23.5 m-85 -108.2 113.35 26.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.452 ' O ' ' CE2' ' A' ' 8' ' ' PHE . 5.3 mt -110.82 -22.68 11.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -117.45 131.44 56.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -44.63 -45.16 9.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -49.15 -38.73 26.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -71.82 -57.76 4.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.83 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -49.83 -37.67 31.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -72.51 -50.14 27.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -42.04 -50.94 4.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.834 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.4 ' OD2' ' CE1' ' A' ' 62' ' ' TYR . 7.4 m-20 -50.68 -54.53 22.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.815 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -51.38 -55.72 17.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -44.68 -57.33 3.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.4 mt -41.98 -55.47 3.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 95.3 mt -41.15 -38.19 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.098 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 50.7 t -81.0 -49.04 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.416 ' OG ' ' N ' ' A' ' 78' ' ' ASN . 51.8 p -59.67 -64.53 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.416 ' N ' ' OG ' ' A' ' 77' ' ' SER . 62.9 m-20 -38.63 -42.64 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.847 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 11.6 t -66.21 -47.57 73.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.815 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.564 ' HA ' ' CD2' ' A' ' 90' ' ' TYR . 8.1 mt -65.58 -22.9 66.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -80.23 -33.77 37.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -79.93 -66.22 0.9 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -97.02 -178.49 4.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.446 ' HA ' ' CD2' ' A' ' 90' ' ' TYR . . . -128.61 171.49 12.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.031 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.583 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -52.19 -17.79 1.24 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.91 -5.45 21.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 57.8 p -119.42 -177.34 3.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.51 ' O ' ' N ' ' A' ' 90' ' ' TYR . 7.0 mt -88.68 -64.83 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.477 ' N ' HG23 ' A' ' 88' ' ' ILE . 0.9 OUTLIER -38.06 -26.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.583 ' CD1' ' HA ' ' A' ' 85' ' ' LYS . 19.5 t80 -81.57 -49.2 10.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.855 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 88' ' ' ILE . 57.0 mtp180 -64.84 -35.02 79.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.76 -34.4 77.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.96 -37.24 69.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.055 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 24.5 t -56.82 -36.74 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 37.0 ttt180 -70.67 -43.26 69.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.557 HD13 ' CE2' ' A' ' 28' ' ' PHE . 96.3 mt -57.21 -53.99 51.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 -57.83 -42.21 83.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -65.5 -65.55 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.431 ' O ' ' C ' ' A' ' 100' ' ' GLY . 42.4 mt-30 -63.68 -57.73 9.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 103' ' ' VAL . . . -34.95 -46.11 0.61 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 100' ' ' GLY . . . -36.79 -45.64 1.07 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.539 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.08 -39.45 86.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.79 0.329 . . . . 0.0 111.059 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 100' ' ' GLY . 94.6 t -69.17 -46.25 78.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 79.3 mt -70.03 -25.19 63.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 34.5 mtt85 -82.16 -36.37 27.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.842 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -77.32 -13.92 59.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -96.99 -34.49 11.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.048 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -54.6 -41.81 70.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.833 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -64.63 -32.36 73.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -69.35 -51.88 32.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.434 ' HB3' ' CD2' ' A' ' 11' ' ' LEU . . . -56.63 -19.42 16.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -95.49 -47.23 6.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.1 ptmm? -55.12 -21.31 12.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 8.7 mtt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.926 179.839 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.897 0.379 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.0 -54.9 2.39 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.422 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.507 ' CZ ' HD12 ' A' ' 12' ' ' LEU . 39.5 t80 -49.33 -38.85 29.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.936 0.398 . . . . 0.0 110.894 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.543 ' CD1' ' CE2' ' A' ' 60' ' ' TYR . 22.7 mt -60.23 -47.5 85.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.937 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.3 mp -61.26 -43.23 96.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.4 tp -54.8 -42.32 71.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.959 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.507 HD12 ' CZ ' ' A' ' 8' ' ' PHE . 75.5 mt -65.04 -56.56 12.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -47.76 -41.47 23.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.847 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -72.65 -49.43 31.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.955 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.465 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 16.7 m -53.3 -50.61 64.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.436 ' CD2' ' HD3' ' A' ' 54' ' ' LYS . 9.5 tp -47.71 -43.04 26.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -58.66 -45.89 88.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -53.67 -33.24 54.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 38.6 mt -66.67 -46.35 75.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 23' ' ' ASP . 7.3 mt-30 -51.56 -51.49 55.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.965 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' GLN . 19.2 mm-40 -37.56 -47.64 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.408 ' HB2' ' CD2' ' A' ' 96' ' ' LEU . 68.6 mmtt -54.45 -41.81 69.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 20' ' ' GLN . 19.2 t0 -78.75 83.17 4.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.0 p -66.11 -33.78 76.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.196 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.18 -16.29 80.76 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.514 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.7 m120 57.25 38.31 28.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.807 0.337 . . . . 0.0 110.893 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.451 HG22 ' CD1' ' A' ' 89' ' ' PHE . 74.8 mt -71.39 -38.38 68.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.086 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.552 ' CE1' HD13 ' A' ' 96' ' ' LEU . 4.1 m-85 -92.9 -12.78 30.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -51.92 -17.06 0.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.798 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -138.06 152.05 71.16 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.602 0.715 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 134.69 28.41 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.679 2.253 . . . . 0.0 112.296 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.7 t -57.99 126.17 76.27 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.543 0.687 . . . . 0.0 111.151 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 141.85 46.29 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.615 2.21 . . . . 0.0 112.36 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 73.1 mt -80.76 -26.79 37.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.3 t -47.16 -45.65 22.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -90.58 -26.61 19.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.8 t -118.24 84.15 21.87 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.57 0.7 . . . . 0.0 111.101 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -19.58 35.92 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.673 2.249 . . . . 0.0 112.374 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -111.89 27.11 9.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -54.48 -58.58 6.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.468 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 27.0 mt -66.15 -41.66 90.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.969 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -38.66 -38.84 0.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.417 ' O ' ' NZ ' ' A' ' 81' ' ' LYS . 57.2 m-70 -102.34 -31.13 10.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.4 mm -102.1 104.65 16.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -66.45 -43.6 85.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.427 ' CE ' ' CD1' ' A' ' 74' ' ' LEU . 28.8 tttp -126.81 86.94 57.64 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.519 0.676 . . . . 0.0 110.882 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.468 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 53.8 Cg_endo -69.75 103.98 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.321 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 43.4 tpp -107.97 150.33 27.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.459 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -145.72 -176.11 5.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.901 179.9 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -74.24 -32.26 62.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -85.58 -39.68 17.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.6 m -60.84 -47.75 84.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.094 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.404 ' CE ' HD12 ' A' ' 16' ' ' LEU . 21.8 ptm -58.53 -43.23 89.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.915 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.436 ' HD3' ' CD2' ' A' ' 16' ' ' LEU . 28.7 tptt -54.87 -53.04 60.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.915 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -46.88 -48.1 21.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -67.26 -38.66 85.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.469 HD22 ' N ' ' A' ' 58' ' ' GLU . 1.6 tt -61.67 -45.66 93.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.926 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.469 ' N ' HD22 ' A' ' 57' ' ' LEU . 48.7 mt-10 -66.92 -24.08 66.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.25 12.96 5.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.091 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.543 ' CE2' ' CD1' ' A' ' 9' ' ' LEU . 9.6 m-85 57.39 42.0 25.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 43.7 mtt180 -91.71 -26.17 18.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -101.97 104.54 15.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.984 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.6 mt -102.22 -26.89 13.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -117.07 137.37 52.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -45.78 -40.09 9.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.815 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -51.37 -36.63 44.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -71.14 -52.22 20.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.412 ' CG ' HD23 ' A' ' 12' ' ' LEU . 51.8 t80 -59.14 -31.49 69.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -72.81 -51.45 18.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -43.3 -57.11 3.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.73 -62.15 1.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.797 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -45.5 -49.67 13.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -50.56 -53.07 33.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.427 ' CD1' ' CE ' ' A' ' 46' ' ' LYS . 21.9 mt -47.74 -49.87 27.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 95.0 mt -43.05 -39.82 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.073 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 94.6 t -84.43 -51.56 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 78' ' ' ASN . 19.8 m -51.91 -70.41 0.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.772 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 77' ' ' SER . 83.8 m-20 -34.68 -41.18 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 3.5 t -71.41 -48.74 47.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.485 HD23 ' CZ ' ' A' ' 90' ' ' TYR . 50.2 mt -66.78 -10.72 50.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.417 ' NZ ' ' O ' ' A' ' 43' ' ' HIS . 13.2 tttm -99.32 -32.48 11.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.945 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -76.03 -64.55 1.07 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.469 ' HB3' ' CG2' ' A' ' 87' ' ' THR . 2.1 m-80 -99.86 -176.21 3.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.901 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.643 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -122.4 -179.44 4.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.095 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.467 ' HG3' ' CE1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -49.25 -37.01 21.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -47.58 -61.97 1.67 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.469 ' CG2' ' HB3' ' A' ' 83' ' ' ASN . 74.3 p -52.28 173.22 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.1 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 90' ' ' TYR . 5.9 mt -88.53 -63.0 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.462 ' N ' HG22 ' A' ' 88' ' ' ILE . 0.7 OUTLIER -37.92 -26.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.939 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.643 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 4.9 t80 -69.14 -59.5 2.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 30.5 mtt-85 -59.32 -37.79 78.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.824 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.67 -44.93 95.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.46 -40.27 95.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 13.5 t -50.45 -49.52 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.433 ' NE ' ' NE2' ' A' ' 99' ' ' GLN . 14.0 ttm180 -61.63 -55.11 34.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.552 HD13 ' CE1' ' A' ' 28' ' ' PHE . 30.0 mt -46.05 -48.46 16.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 38.7 ttt85 -59.3 -39.62 83.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.79 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -73.36 -65.23 0.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.433 ' NE2' ' NE ' ' A' ' 95' ' ' ARG . 61.4 mt-30 -63.11 -57.71 9.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -41.81 -37.67 2.12 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.51 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -46.29 -41.94 12.37 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.514 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.52 -31.19 67.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 0.0 111.156 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 98.9 t -72.58 -41.86 63.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 32.4 mt -75.49 -17.77 60.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -86.96 -39.59 15.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -75.95 -22.07 56.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -89.44 -30.66 18.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.074 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -57.17 -44.34 83.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.833 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -54.45 -32.91 58.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' A' ' 112' ' ' GLU . 7.7 mt-30 -70.97 -65.21 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.945 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -39.99 -24.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.061 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 110' ' ' GLN . 12.9 mt-10 -86.04 -41.56 14.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 110' ' ' GLN . 0.0 OUTLIER -71.1 -32.17 68.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.944 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 8.0 mmt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.823 179.86 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 9' ' ' LEU . 1.7 p . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.914 0.388 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -35.83 -45.1 0.77 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.527 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -56.54 -42.69 78.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.914 0.387 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.472 HD12 ' CE2' ' A' ' 60' ' ' TYR . 82.7 mt -53.45 -55.61 23.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.8 mp -47.85 -47.52 12.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.9 tp -49.57 -39.58 35.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.4 mt -75.94 -39.75 55.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.1 mtm180 -66.25 -31.27 71.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -88.47 -31.59 18.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.417 ' N ' ' HG3' ' A' ' 14' ' ' LYS . 16.8 m -72.67 -42.34 64.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.178 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 37.7 tp -55.32 -39.44 69.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.945 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -65.87 -44.17 86.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.471 HE22 ' NE2' ' A' ' 106' ' ' GLN . 30.9 mt-30 -53.84 -41.44 67.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.9 mt -59.37 -49.08 79.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.961 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 23' ' ' ASP . 11.2 mt-30 -46.51 -49.04 19.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -37.96 -44.62 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.0 mmtm -59.59 -41.38 90.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 20' ' ' GLN . 33.5 t0 -77.68 98.2 5.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.7 p -85.11 -32.45 22.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.93 -13.24 81.59 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.546 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.4 m120 56.09 42.57 28.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.839 0.352 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.9 mt -75.83 -36.03 31.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.529 ' CE1' HD13 ' A' ' 96' ' ' LEU . 1.6 m-85 -98.33 -10.87 23.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -52.85 -19.57 2.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -130.37 152.53 80.4 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.565 0.697 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -179.11 2.67 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.684 2.256 . . . . 0.0 112.323 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.3 t -116.48 123.56 30.47 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.627 0.727 . . . . 0.0 111.139 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 112.01 2.96 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.647 2.231 . . . . 0.0 112.389 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.7 mt -59.18 -32.71 70.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.96 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.1 m -55.1 -30.95 60.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -93.42 -34.6 13.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.408 ' CG1' ' OH ' ' A' ' 82' ' ' TYR . 1.2 t -120.38 84.83 35.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.56 0.695 . . . . 0.0 111.127 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -34.32 14.82 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.617 2.211 . . . . 0.0 112.309 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -79.0 3.87 16.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -51.5 -64.04 0.94 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 42' ' ' ASP . 24.6 mt -67.12 -40.52 86.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 41' ' ' LEU . 4.7 t70 -37.95 -32.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -111.68 -33.97 6.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.8 mm -86.62 124.08 40.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -79.76 -51.19 9.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.007 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.47 ' HG3' ' CD1' ' A' ' 74' ' ' LEU . 11.1 tptm -130.91 91.36 36.95 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.569 0.7 . . . . 0.0 110.903 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 160.74 48.57 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.701 2.268 . . . . 0.0 112.342 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.414 ' HB2' ' CD1' ' A' ' 74' ' ' LEU . 35.6 tpp -168.85 165.62 11.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.893 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -158.29 169.71 23.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -62.07 -36.48 81.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.45 ' CD2' ' N ' ' A' ' 52' ' ' THR . 2.7 t80 -75.92 -60.51 2.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.828 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.45 ' N ' ' CD2' ' A' ' 51' ' ' PHE . 12.3 m -44.41 -56.64 4.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.45 ' HG3' ' N ' ' A' ' 54' ' ' LYS . 14.1 ptm -50.58 -45.77 57.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.45 ' N ' ' HG3' ' A' ' 53' ' ' MET . 0.2 OUTLIER -51.96 -49.77 62.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -52.8 -49.78 64.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -60.75 -39.58 89.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.9 tt -61.62 -45.11 95.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -66.34 -23.37 66.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.86 13.33 10.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.179 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.472 ' CE2' HD12 ' A' ' 9' ' ' LEU . 6.0 m-85 57.31 42.69 24.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -90.8 -25.92 19.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -102.58 109.8 21.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.98 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.6 mt -109.17 -24.16 11.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -120.52 133.8 55.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.438 ' O ' ' C ' ' A' ' 66' ' ' ASP . 7.4 t80 -42.12 -55.71 3.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 65' ' ' PHE . 0.9 OUTLIER -35.46 -47.51 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.858 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.48 -56.4 14.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -52.31 -24.44 7.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -88.39 -42.14 12.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -51.23 -46.4 62.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -59.73 -47.85 84.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -60.97 -39.16 88.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -50.9 -50.79 56.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 77' ' ' SER . 22.0 mt -44.17 -60.88 1.69 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.437 ' C ' ' O ' ' A' ' 74' ' ' LEU . 44.6 mt -33.43 -37.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.456 HG13 ' CD1' ' A' ' 80' ' ' LEU . 47.3 t -89.1 -38.79 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 74' ' ' LEU . 25.9 t -66.94 -73.84 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.46 ' ND2' ' HB3' ' A' ' 74' ' ' LEU . 5.1 p30 -40.17 -41.93 1.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.4 t -68.32 -47.56 67.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.461 HD21 ' CZ ' ' A' ' 90' ' ' TYR . 29.0 mt -62.31 -22.71 66.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -89.87 -61.9 1.59 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.408 ' OH ' ' CG1' ' A' ' 37' ' ' VAL . 2.6 t80 -43.13 -58.52 2.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.847 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -107.28 176.0 5.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.566 ' HA ' ' CD2' ' A' ' 90' ' ' TYR . . . -123.07 166.4 15.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.078 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.563 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -38.65 -39.78 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -46.74 -48.03 20.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 51.2 p -70.76 171.02 11.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.507 ' O ' ' N ' ' A' ' 90' ' ' TYR . 1.7 mt -82.67 -60.93 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.155 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.461 ' N ' HG23 ' A' ' 88' ' ' ILE . 0.6 OUTLIER -38.75 -25.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.911 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.566 ' CD2' ' HA ' ' A' ' 84' ' ' ALA . 6.7 t80 -71.14 -58.58 3.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -52.97 -48.3 67.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.21 -40.07 67.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.74 -40.66 92.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 83.1 t -58.92 -41.89 84.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.118 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 18.0 ttp180 -62.93 -58.38 7.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.817 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.529 HD13 ' CE1' ' A' ' 28' ' ' PHE . 39.1 mt -47.0 -50.61 18.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.968 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.45 ' CD ' HG12 ' A' ' 76' ' ' VAL . 21.9 ttt-85 -55.04 -36.08 65.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -78.47 -64.61 1.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -63.48 -54.75 31.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -41.87 -35.83 1.65 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.474 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -47.78 -44.13 23.63 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.462 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.03 -34.5 74.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 0.0 111.081 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.8 t -69.31 -46.1 77.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 54.7 mt -74.69 -17.58 60.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -85.5 -40.27 16.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.471 ' NE2' HE22 ' A' ' 18' ' ' GLN . 10.5 pt20 -73.0 -28.29 62.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -86.6 -31.71 21.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -56.32 -48.79 76.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -54.59 -33.54 60.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -65.04 -63.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.849 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -43.74 -23.05 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.072 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -91.32 -44.82 8.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -20.29 62.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.421 ' HE2' ' C ' ' A' ' 7' ' ' GLY . 17.0 mtt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.857 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 9' ' ' LEU . 18.6 p . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.854 0.359 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -35.64 -43.45 0.57 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.512 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.535 ' CZ ' HD11 ' A' ' 12' ' ' LEU . 18.6 t80 -64.21 -45.69 87.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.902 0.382 . . . . 0.0 110.903 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 6' ' ' SER . 82.7 mt -51.38 -40.17 58.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.0 mp -63.82 -44.34 98.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 60.2 tp -50.21 -35.48 26.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.535 HD11 ' CZ ' ' A' ' 8' ' ' PHE . 9.8 mp -73.17 -49.63 27.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.969 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.451 ' HG2' ' CD2' ' A' ' 57' ' ' LEU . 15.6 mtm105 -57.82 -44.08 86.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.25 -35.8 66.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.2 m -69.21 -37.36 78.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.424 ' CD2' ' HD3' ' A' ' 54' ' ' LYS . 37.3 tp -58.84 -38.07 77.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -69.22 -41.73 76.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -55.56 -35.02 65.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.939 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.442 HD23 ' CE2' ' A' ' 72' ' ' PHE . 31.4 mt -70.9 -38.58 73.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 23' ' ' ASP . 8.5 mm-40 -57.8 -40.71 80.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.936 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -43.49 -25.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.0 mmtt -79.51 -36.41 38.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 20' ' ' GLN . 0.7 OUTLIER -64.5 119.38 10.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.901 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.4 p -113.68 -41.01 3.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.135 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.438 ' O ' ' CG ' ' A' ' 26' ' ' ASN . . . -80.1 6.47 59.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.53 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.438 ' CG ' ' O ' ' A' ' 25' ' ' GLY . 2.4 p-10 46.26 41.56 9.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.81 0.338 . . . . 0.0 110.9 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.463 HG21 ' CD1' ' A' ' 89' ' ' PHE . 72.3 mt -85.94 -37.09 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.559 ' CE1' HD12 ' A' ' 96' ' ' LEU . 1.8 m-85 -99.35 -15.1 18.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.09 -10.05 13.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -142.94 151.95 57.51 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-O 121.642 0.734 . . . . 0.0 110.792 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 140.49 42.82 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.641 2.228 . . . . 0.0 112.382 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.1 t -70.65 122.38 86.5 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.611 0.72 . . . . 0.0 111.181 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 144.54 54.47 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.718 2.279 . . . . 0.0 112.336 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.3 mt -82.93 -26.9 30.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.991 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.7 m -46.04 -43.61 14.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -92.1 -20.51 21.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.8 t -126.24 84.82 61.03 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.596 0.713 . . . . 0.0 111.102 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.82 -18.69 36.57 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.63 2.22 . . . . 0.0 112.343 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -114.95 30.48 7.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.841 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -57.16 -60.11 4.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.918 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.424 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 19.2 mt -65.62 -39.8 91.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.95 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 41' ' ' LEU . 0.9 OUTLIER -37.88 -33.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.8 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.473 ' HB2' ' CE1' ' A' ' 82' ' ' TYR . 54.2 m-70 -106.94 -32.29 7.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 19.3 mm -99.59 124.12 52.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.156 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 6.8 mptt -83.73 -38.02 21.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.847 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.5 mtpt -129.94 88.08 49.87 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.581 0.705 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.424 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 53.9 Cg_endo -69.76 89.23 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.728 2.285 . . . . 0.0 112.316 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 25.9 tpp -94.52 156.03 16.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.924 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -153.86 178.11 10.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.448 ' CE2' ' HB2' ' A' ' 28' ' ' PHE . 3.4 m-85 -69.97 -37.93 75.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -83.8 -34.73 24.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 55.7 m -66.78 -60.51 2.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.115 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.556 ' HE2' ' CE1' ' A' ' 68' ' ' PHE . 3.0 ppp? -50.27 -32.51 17.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.424 ' HD3' ' CD2' ' A' ' 16' ' ' LEU . 20.7 tptm -65.17 -40.05 93.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -59.58 -48.38 81.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -61.63 -36.17 80.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.843 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.461 HD22 ' N ' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -63.5 -42.14 98.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.461 ' N ' HD22 ' A' ' 57' ' ' LEU . 47.1 mt-10 -72.98 -11.83 60.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -98.74 18.33 17.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 53.89 44.56 29.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.945 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 37.7 mtt180 -96.7 -24.84 15.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.519 ' CZ ' ' OD2' ' A' ' 71' ' ' ASP . 18.5 m-85 -107.17 96.99 6.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.7 mt -95.56 -27.93 15.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -113.92 148.24 37.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -56.65 -43.57 80.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -51.3 -32.44 24.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -72.95 -58.65 3.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.821 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.556 ' CE1' ' HE2' ' A' ' 53' ' ' MET . 76.9 t80 -51.97 -47.67 64.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -58.83 -49.25 78.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -44.06 -55.28 4.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.519 ' OD2' ' CZ ' ' A' ' 62' ' ' TYR . 2.1 m-20 -47.01 -57.88 4.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.833 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.442 ' CE2' HD23 ' A' ' 19' ' ' LEU . 23.7 t80 -50.13 -50.02 50.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.904 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -48.21 -51.41 25.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 75' ' ' ILE . 33.2 mt -50.5 -60.54 2.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.438 ' C ' ' O ' ' A' ' 74' ' ' LEU . 77.1 mt -34.03 -39.38 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.429 ' CG1' HD11 ' A' ' 80' ' ' LEU . 85.9 t -83.12 -46.19 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.165 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 80' ' ' LEU . 14.8 t -58.36 -68.24 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -40.05 -38.54 0.74 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.823 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.9 t -74.35 -36.27 63.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.837 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 77' ' ' SER . 88.8 mt -81.31 -10.04 59.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.9 ptmt -103.57 -30.13 10.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.473 ' CE1' ' HB2' ' A' ' 43' ' ' HIS . 4.9 t80 -82.42 -50.78 8.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -100.97 -177.74 3.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.955 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.578 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -128.6 173.21 10.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.488 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 33.3 mttm -49.85 -48.32 51.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.946 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -41.32 -57.36 2.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 72.1 p -55.52 179.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.521 ' O ' ' N ' ' A' ' 90' ' ' TYR . 6.8 mt -93.58 -62.8 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.463 ' CD1' HG21 ' A' ' 27' ' ' ILE . 0.7 OUTLIER -37.38 -27.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.578 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 9.2 t80 -71.39 -57.79 4.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -58.08 -37.16 73.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.934 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.34 -40.66 89.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.32 -40.95 94.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.059 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 11.7 t -53.73 -51.35 44.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -57.07 -52.93 63.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.559 HD12 ' CE1' ' A' ' 28' ' ' PHE . 37.0 mt -45.98 -51.44 13.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 52.4 ttt85 -58.97 -37.86 77.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -72.22 -66.61 0.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -63.81 -53.62 47.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.851 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -45.6 -38.27 7.23 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.461 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -46.56 -35.09 7.1 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.472 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.82 -36.16 81.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.814 0.34 . . . . 0.0 111.112 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 69.7 t -67.34 -42.98 88.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.144 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 80.5 mt -74.86 -31.78 61.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.998 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 34.7 mtm180 -72.62 -34.07 67.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.407 ' HA ' ' NE ' ' A' ' 109' ' ' ARG . 11.1 pt20 -80.32 -26.57 38.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.956 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -87.89 -25.77 23.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.037 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 61.2 ttt-85 -56.66 -49.36 75.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.407 ' NE ' ' HA ' ' A' ' 106' ' ' GLN . 18.2 ptp180 -53.35 -33.68 54.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.935 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -66.48 -55.03 17.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.958 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.25 -14.06 1.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -100.25 -44.48 5.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.5 ptmm? -56.61 -30.46 63.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.453 ' CE ' ' HA ' ' A' ' 8' ' ' PHE . 8.2 mtt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.825 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.4 m -142.04 161.39 38.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.86 0.362 . . . . 0.0 110.897 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -38.28 -41.47 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.88 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.02 138.31 6.35 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.495 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.6 p -122.08 96.02 4.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.942 0.401 . . . . 0.0 110.889 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 9' ' ' LEU . 12.1 p -104.84 -50.61 3.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -40.46 -46.2 3.53 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.543 ' CE2' ' O ' ' A' ' 63' ' ' LEU . 82.2 t80 -59.03 -37.74 77.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.906 0.384 . . . . 0.0 110.895 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.635 ' CD1' ' CE2' ' A' ' 60' ' ' TYR . 55.2 mt -62.72 -44.68 95.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.9 mp -61.06 -49.58 84.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 19.6 tp -50.38 -43.4 54.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.2 mt -64.46 -55.29 21.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 -50.97 -40.7 58.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.823 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' ' 15' ' ' THR . 0.2 OUTLIER -70.27 -38.26 75.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.415 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 24.3 m -65.36 -56.93 9.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.138 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 26.2 tp -40.05 -45.83 2.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -55.84 -51.01 69.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.613 HE22 ' NE2' ' A' ' 106' ' ' GLN . 39.8 mt-30 -48.0 -45.7 31.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.2 mt -57.97 -46.23 85.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -53.87 -42.07 68.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -46.05 -42.68 13.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -62.17 -41.82 98.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -78.3 90.77 4.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.796 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 52.4 p -82.72 -21.68 34.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.65 -16.78 59.51 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 61.39 38.04 16.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.819 0.342 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.6 mt -73.39 -32.36 36.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.557 ' CE1' HD12 ' A' ' 96' ' ' LEU . 3.5 m-85 -103.87 -13.05 16.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -50.59 -29.05 9.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.917 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -124.72 152.09 68.84 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.661 0.743 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 137.03 34.56 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.695 2.264 . . . . 0.0 112.293 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.2 t -62.36 130.51 93.25 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.7 0.762 . . . . 0.0 111.068 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 142.11 47.06 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.731 2.287 . . . . 0.0 112.318 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.1 mt -84.69 -27.41 27.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.4 t -52.53 -37.78 58.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -91.74 -26.14 18.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.0 t -122.76 84.62 49.44 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.556 0.693 . . . . 0.0 111.067 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -21.8 32.98 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.712 2.275 . . . . 0.0 112.378 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -109.29 26.72 10.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -55.56 -61.87 2.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.436 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 42.7 mt -63.39 -36.96 85.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.947 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -42.61 -23.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.423 ' N ' ' O ' ' A' ' 41' ' ' LEU . 50.4 m-70 -115.75 -25.34 7.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.2 mm -107.81 120.15 58.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 40.8 mmtt -80.2 -39.08 29.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.911 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -131.93 86.83 46.5 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.567 0.699 . . . . 0.0 110.921 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.436 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 54.0 Cg_endo -69.8 116.9 4.78 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.592 2.195 . . . . 0.0 112.404 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 33.3 tpp -123.56 149.62 45.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.42 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 0.3 OUTLIER -149.79 170.99 17.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -61.35 -37.62 83.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -73.8 -44.27 56.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.7 m -61.97 -55.71 26.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 7.4 ptm -50.59 -37.85 42.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.4 ' HE2' ' CG ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -57.87 -54.02 51.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 179.885 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -50.05 -53.98 23.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -56.09 -42.28 76.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.8 tt -62.59 -43.35 99.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.4 ' CG ' ' HE2' ' A' ' 54' ' ' LYS . 28.3 mm-40 -69.07 -16.57 63.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.62 10.12 36.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.635 ' CE2' ' CD1' ' A' ' 9' ' ' LEU . 5.3 m-85 60.49 41.18 16.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.971 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 51.7 mtt180 -89.87 -23.18 21.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -105.46 109.36 21.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.543 ' O ' ' CE2' ' A' ' 8' ' ' PHE . 6.7 mt -106.92 -25.01 11.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.959 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 65' ' ' PHE . 2.0 m-80 -120.34 126.24 50.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.442 ' C ' ' O ' ' A' ' 64' ' ' ASN . 12.5 t80 -34.47 -56.24 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 65' ' ' PHE . 4.1 t70 -35.36 -50.58 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.83 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -61.54 -53.93 49.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -55.74 -27.89 52.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -80.35 -38.81 29.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.827 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -51.39 -57.98 7.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -42.64 -57.37 2.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.815 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -50.0 -57.46 7.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -39.42 -53.18 2.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.425 ' O ' ' CG ' ' A' ' 78' ' ' ASN . 65.1 mt -53.56 -56.05 20.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 74' ' ' LEU . 65.1 mt -36.23 -38.4 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.3 t -86.67 -43.65 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.187 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.3 m -58.84 -67.63 0.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.425 ' CG ' ' O ' ' A' ' 74' ' ' LEU . 2.6 p30 -44.16 -26.04 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.4 t -84.76 -38.74 19.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 65.1 mt -82.67 -10.88 58.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -99.86 -19.72 16.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -99.87 -41.06 7.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -106.5 166.51 10.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.567 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -115.05 164.31 14.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.152 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.563 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 37.3 mttm -43.75 -49.99 7.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.919 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -38.68 -53.86 1.6 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 52.7 p -57.7 174.71 0.22 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.161 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.505 ' O ' ' N ' ' A' ' 90' ' ' TYR . 1.7 mt -89.82 -61.77 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.45 ' N ' HG22 ' A' ' 88' ' ' ILE . 1.0 OUTLIER -38.9 -25.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.567 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 6.4 t80 -69.06 -61.18 1.9 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 20.9 mtp85 -59.56 -29.35 67.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.96 -34.95 71.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.072 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.73 -34.92 62.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.115 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.5 t -61.49 -41.11 88.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.135 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -64.54 -42.95 95.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.823 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.557 HD12 ' CE1' ' A' ' 28' ' ' PHE . 60.9 mt -61.59 -47.03 87.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 58.7 ttt85 -62.41 -37.69 86.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -72.71 -64.59 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -64.65 -56.4 14.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -39.92 -37.4 0.97 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.464 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -45.75 -41.69 10.21 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.512 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.77 -37.41 84.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.834 0.349 . . . . 0.0 111.054 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 96.7 t -66.24 -46.03 88.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.167 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 89.3 mt -71.84 -25.29 61.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 44.0 mtt180 -79.54 -32.71 42.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.854 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.613 ' NE2' HE22 ' A' ' 18' ' ' GLN . 8.5 pt20 -81.09 -32.72 33.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -82.82 -25.26 32.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.058 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.8 tpp85 -60.81 -47.35 86.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -58.19 -33.55 69.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.829 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -67.48 -52.93 33.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.53 -15.06 3.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -100.96 -40.28 7.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.3 ptmm? -63.7 -22.6 66.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 8.9 mtt -45.65 -41.35 10.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -104.17 107.53 2.97 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.425 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.3 t -62.14 88.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.945 0.403 . . . . 0.0 110.805 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -170.0 -84.52 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.454 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -5.93 17.35 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.716 2.277 . . . . 0.0 112.324 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 48.0 t -147.17 123.95 11.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.817 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 98.5 p -74.54 173.45 10.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.444 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -96.36 157.09 16.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.882 0.372 . . . . 0.0 110.872 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.9 m -80.06 44.59 0.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.72 -126.61 4.77 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.47 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -86.49 35.45 0.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 110.873 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 9' ' ' LEU . 2.0 m -42.08 -52.18 4.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.38 -57.52 1.43 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.484 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -47.57 -36.49 10.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 0.0 110.881 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.515 HD13 ' CE2' ' A' ' 60' ' ' TYR . 14.3 mt -60.32 -41.99 94.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 mp -65.05 -43.05 96.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 18.1 tp -58.12 -35.6 71.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.923 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.5 HD23 ' CG ' ' A' ' 68' ' ' PHE . 96.0 mt -72.7 -46.47 53.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 -64.45 -39.08 93.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -73.91 -35.24 64.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.46 ' N ' ' HG3' ' A' ' 14' ' ' LYS . 21.5 m -72.16 -42.25 66.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.1 tp -54.91 -38.0 67.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.952 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -65.0 -45.42 85.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -51.3 -46.03 62.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 35.9 mt -58.28 -50.59 73.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -45.26 -47.7 12.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -42.31 -45.49 4.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.7 mmtm -52.16 -44.25 64.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -75.75 107.31 7.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.868 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 67.3 p -90.11 -29.89 18.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.75 -21.69 68.24 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.427 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 m120 65.33 32.09 10.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.341 . . . . 0.0 110.935 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.483 HG23 ' CD1' ' A' ' 89' ' ' PHE . 62.4 mt -67.78 -40.18 83.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.083 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.512 ' CE1' HD11 ' A' ' 96' ' ' LEU . 2.0 m-85 -92.32 -12.59 32.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -52.44 -17.34 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.827 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -132.69 151.89 78.93 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.688 0.756 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 137.51 35.48 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.66 2.24 . . . . 0.0 112.318 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 88.4 t -62.38 122.36 72.77 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.615 0.722 . . . . 0.0 111.134 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 121.34 8.04 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.639 2.226 . . . . 0.0 112.362 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 53.3 mt -65.04 -23.15 67.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.8 t -58.54 -38.61 78.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.811 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -88.53 -30.5 19.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.6 t -120.48 84.34 35.71 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.606 0.717 . . . . 0.0 111.123 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 -18.22 37.31 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.71 2.274 . . . . 0.0 112.35 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 39' ' ' ASP . 1.5 p-10 -109.75 24.93 12.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -57.83 -56.77 17.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.459 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 25.3 mt -69.33 -30.57 68.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -48.88 -37.9 21.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -106.48 -24.97 12.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.4 mm -104.25 100.78 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.141 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 50.8 mmtt -59.69 -47.88 83.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.426 ' HE2' ' CD1' ' A' ' 74' ' ' LEU . 36.0 tttt -131.99 87.74 43.47 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.508 0.67 . . . . 0.0 110.871 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.459 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 53.3 Cg_endo -69.85 148.13 63.84 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.643 2.228 . . . . 0.0 112.292 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.448 ' O ' ' CG ' ' A' ' 49' ' ' ASP . 32.4 tpp -141.78 165.39 27.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.799 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.448 ' CG ' ' O ' ' A' ' 48' ' ' MET . 4.2 m-20 -162.6 175.61 11.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -70.29 -35.74 73.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.531 ' C ' ' CD1' ' A' ' 51' ' ' PHE . 0.4 OUTLIER -83.14 -36.52 24.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.907 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 59.1 m -61.0 -54.66 42.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 24.0 ptm -55.98 -39.18 71.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -54.17 -51.52 64.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -52.73 -55.31 23.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 42.2 m-20 -57.73 -42.8 84.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 tt -59.71 -45.6 91.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -66.82 -22.07 66.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.11 15.16 6.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.515 ' CE2' HD13 ' A' ' 9' ' ' LEU . 9.4 m-85 55.26 39.67 31.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.949 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 49.7 mtt180 -89.02 -25.51 21.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.823 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -103.94 116.18 31.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.6 mt -115.11 -23.9 8.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -119.7 141.48 49.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -50.73 -46.47 59.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -50.74 -25.08 3.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.797 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -86.73 -45.48 10.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.5 ' CG ' HD23 ' A' ' 12' ' ' LEU . 59.4 t80 -66.65 -25.31 66.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -89.34 -23.32 22.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -62.43 -45.41 93.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.836 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.486 ' OD1' ' N ' ' A' ' 72' ' ' PHE . 0.5 OUTLIER -64.72 -51.89 59.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.486 ' N ' ' OD1' ' A' ' 71' ' ' ASP . 2.0 t80 -50.17 -38.44 39.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -62.5 -37.2 85.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.426 ' CD1' ' HE2' ' A' ' 46' ' ' LYS . 39.4 mt -63.83 -45.8 87.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.401 HD13 ' C ' ' A' ' 49' ' ' ASP . 68.7 mt -48.04 -30.11 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.126 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.7 t -91.85 -50.04 12.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 80' ' ' LEU . 1.6 t -57.14 -66.68 0.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.4 ' ND2' ' HB3' ' A' ' 74' ' ' LEU . 90.0 m-20 -38.4 -41.18 0.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 34.5 t -70.97 -41.61 70.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 77' ' ' SER . 85.2 mt -74.67 -12.67 60.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -97.02 -34.99 10.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -78.77 -57.41 3.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -103.27 173.86 6.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.642 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -120.95 179.45 4.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.455 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 14.1 mtpp -51.59 -38.1 52.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -48.49 -36.32 14.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 61.8 p -79.91 169.5 17.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.175 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' A' ' 90' ' ' TYR . 4.8 mt -83.27 -64.35 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.483 ' CD1' HG23 ' A' ' 27' ' ' ILE . 1.1 m-85 -38.84 -25.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.642 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 8.7 t80 -67.86 -47.54 68.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 88' ' ' ILE . 10.0 mtp-105 -64.49 -48.96 73.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.958 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.56 -44.17 69.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.119 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.24 -41.41 96.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 38.8 t -58.59 -37.57 65.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.156 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.7 ttt180 -70.42 -48.88 54.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.512 HD11 ' CE1' ' A' ' 28' ' ' PHE . 77.5 mt -54.39 -49.38 70.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 49.0 ttt85 -58.14 -41.24 83.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.836 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -69.89 -67.0 0.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -64.18 -54.5 32.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -41.22 -39.47 2.21 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.513 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -49.72 -40.91 34.18 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.411 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.64 -29.44 69.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.812 0.339 . . . . 0.0 111.068 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.1 t -77.37 -40.18 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 73.9 mt -73.54 -26.18 60.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.996 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 24.3 mtp180 -82.34 -32.22 29.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -79.33 -25.09 42.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -92.08 -27.25 17.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.171 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 35.0 ttp85 -56.72 -50.3 72.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -51.17 -33.48 27.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -67.25 -59.26 3.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -47.81 -21.44 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.074 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -94.97 -45.9 7.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 10.1 pttp -55.43 -19.79 10.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.821 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 8.9 mmt -47.16 -63.63 0.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -94.23 -142.5 12.39 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.47 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 26.2 t -103.59 -44.6 5.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.844 0.354 . . . . 0.0 110.857 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 100.54 -163.75 18.81 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.483 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 103.98 1.25 Allowed 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.774 2.316 . . . . 0.0 112.307 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 21.7 t -92.74 90.29 7.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 56.5 p -75.05 -47.06 30.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.497 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -72.37 141.55 48.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.865 0.365 . . . . 0.0 110.861 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.2 p -145.2 122.58 11.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.48 113.94 3.98 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.523 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 m -55.16 89.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.816 0.341 . . . . 0.0 110.844 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 9' ' ' LEU . 1.6 p -81.58 -56.83 3.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -40.03 -38.08 1.16 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -65.32 -41.1 94.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.357 . . . . 0.0 110.889 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 6' ' ' SER . 67.6 mt -55.67 -34.93 65.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.5 mp -69.11 -46.05 78.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 52.5 tp -52.34 -32.63 39.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.435 ' HB3' ' CD1' ' A' ' 57' ' ' LEU . 6.2 mp -75.39 -50.25 16.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.462 ' HG2' ' CD2' ' A' ' 57' ' ' LEU . 71.9 mtp180 -60.89 -36.05 78.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -77.2 -35.31 55.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.444 ' N ' ' HG3' ' A' ' 14' ' ' LYS . 17.7 m -71.59 -40.32 69.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.138 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.487 ' CD2' ' CD ' ' A' ' 54' ' ' LYS . 9.4 tp -55.47 -40.61 71.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.982 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -63.86 -42.52 97.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -54.3 -40.67 68.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.561 HD11 ' CD2' ' A' ' 72' ' ' PHE . 65.0 mt -64.17 -51.41 63.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' A' ' 23' ' ' ASP . 12.5 mt-30 -46.07 -47.52 17.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -40.4 -39.16 0.93 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -61.15 -42.03 97.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 20' ' ' GLN . 40.2 t0 -75.89 107.29 7.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.836 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 66.7 p -89.51 -25.78 21.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.02 -19.33 57.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.518 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.5 m120 66.05 35.79 6.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.34 . . . . 0.0 110.937 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.403 HG22 ' CD1' ' A' ' 89' ' ' PHE . 67.1 mt -68.88 -44.25 81.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.173 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.55 ' CE1' HD11 ' A' ' 96' ' ' LEU . 1.1 m-85 -91.94 -5.03 53.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -62.33 -12.82 23.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.815 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -144.49 150.73 48.62 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.647 0.737 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 150.17 67.75 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.676 2.251 . . . . 0.0 112.333 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.8 t -80.19 123.68 83.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.64 0.733 . . . . 0.0 111.19 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 124.25 10.88 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.626 2.217 . . . . 0.0 112.326 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.7 mt -59.69 -33.55 71.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.6 m -45.01 -35.03 2.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.804 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -94.74 -29.73 14.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.8 t -125.3 86.23 57.29 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.708 0.766 . . . . 0.0 111.144 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.66 -18.53 37.44 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.634 2.223 . . . . 0.0 112.38 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -107.25 22.22 16.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -56.45 -65.01 0.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.449 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 16.3 mt -61.86 -41.33 97.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -38.13 -36.33 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.432 ' HB2' ' CE1' ' A' ' 82' ' ' TYR . 59.3 m-70 -104.96 -31.28 9.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.8 mm -101.57 119.19 49.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.5 mmtm -77.86 -43.04 31.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -128.02 87.24 56.09 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.616 0.722 . . . . 0.0 110.837 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.449 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 53.5 Cg_endo -69.82 93.76 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.669 2.246 . . . . 0.0 112.283 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 35.4 tpp -91.78 157.98 16.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.96 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -159.85 159.85 33.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.438 ' CD2' ' HB2' ' A' ' 28' ' ' PHE . 9.7 m-85 -53.93 -34.07 58.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -85.88 -39.31 17.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 27.7 m -61.13 -51.18 70.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 11.1 ptm -57.05 -34.71 68.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.487 ' CD ' ' CD2' ' A' ' 16' ' ' LEU . 16.1 tptm -58.07 -51.89 67.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -49.79 -50.89 43.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -64.79 -40.27 94.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.462 ' CD2' ' HG2' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -59.86 -41.72 92.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.946 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.409 ' N ' HD21 ' A' ' 57' ' ' LEU . 15.4 mt-10 -81.07 -6.39 58.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -98.28 16.81 20.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.073 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 57.78 35.74 25.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.6 mtt180 -90.13 -25.84 20.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -107.8 113.22 26.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.963 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.4 mt -110.34 -26.72 9.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.513 ' N ' ' ND2' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -122.47 143.88 49.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -51.51 -40.4 59.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -51.59 -25.64 7.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -87.43 -50.13 6.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.433 ' CG ' ' HG ' ' A' ' 12' ' ' LEU . 45.5 t80 -63.77 -21.01 66.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.91 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -88.16 -22.0 24.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.87 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -69.66 -52.78 22.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.84 -51.69 65.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.561 ' CD2' HD11 ' A' ' 19' ' ' LEU . 5.4 t80 -51.87 -39.53 59.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -61.22 -34.61 75.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.935 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 76' ' ' VAL . 34.8 mt -67.31 -54.36 21.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 73.8 mt -38.93 -27.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.19 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 74' ' ' LEU . 74.2 t -94.95 -43.52 13.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.142 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 80' ' ' LEU . 9.2 t -59.85 -68.78 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -41.44 -31.66 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 3.8 t -80.89 -38.81 27.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.459 ' CD2' ' CE1' ' A' ' 90' ' ' TYR . 74.8 mt -79.52 -12.03 59.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.46 ' CG ' ' N ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -98.28 -45.94 6.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.836 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.46 ' N ' ' CG ' ' A' ' 81' ' ' LYS . 10.3 t80 -66.6 -56.43 10.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.963 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -98.14 172.34 7.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.639 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -119.5 164.22 16.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.538 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 66.0 mttt -41.48 -44.02 2.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -41.15 -47.37 3.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 43.0 p -69.28 170.42 10.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.502 ' O ' ' N ' ' A' ' 90' ' ' TYR . 1.6 mt -82.32 -61.45 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.452 ' N ' HG23 ' A' ' 88' ' ' ILE . 1.4 m-85 -39.03 -25.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.639 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 6.1 t80 -70.52 -60.56 2.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.941 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -55.47 -37.0 67.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.19 -43.84 90.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.076 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.55 -42.51 98.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.019 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 37.6 t -54.73 -42.39 61.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.429 ' HD2' ' NE2' ' A' ' 99' ' ' GLN . 5.8 ttp-105 -61.52 -59.98 4.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.55 HD11 ' CE1' ' A' ' 28' ' ' PHE . 86.0 mt -45.29 -50.22 12.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.971 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 58.3 ttt85 -57.28 -41.0 78.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -74.07 -67.38 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.429 ' NE2' ' HD2' ' A' ' 95' ' ' ARG . 59.2 mt-30 -62.75 -54.03 45.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -45.19 -34.57 4.49 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.533 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -49.76 -41.69 35.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.478 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.2 -25.14 68.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.341 . . . . 0.0 111.094 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 97.2 t -78.64 -38.85 22.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 57.7 mt -78.77 -16.48 57.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 70.0 mtm180 -89.3 -39.5 13.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.81 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.426 ' C ' ' CD ' ' A' ' 106' ' ' GLN . 3.8 pp0? -69.65 -29.53 67.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -85.46 -29.54 24.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -51.17 -43.99 61.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -57.22 -37.42 72.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -65.05 -53.17 49.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.12 -15.96 1.77 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -101.63 -38.43 7.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 11.6 pttp -62.54 -21.1 65.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 7.1 mtt -49.51 -43.92 45.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.92 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -165.17 -160.37 12.48 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.438 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.0 t -103.65 -51.1 3.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.895 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 173.61 152.69 9.06 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.405 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -19.97 35.09 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.344 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 8.0 t -103.49 157.54 16.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 26.3 t -126.31 -55.8 1.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 179.974 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.432 -0.267 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p -104.21 142.0 35.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.937 0.398 . . . . 0.0 110.841 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -157.45 169.91 23.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.91 -96.24 0.22 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 m -100.31 53.58 0.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.891 0.376 . . . . 0.0 110.876 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 m -72.87 -41.85 64.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.872 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -40.44 -56.82 2.82 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.502 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.501 ' CE2' HD11 ' A' ' 12' ' ' LEU . 68.2 t80 -46.7 -45.59 19.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.911 0.386 . . . . 0.0 110.901 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.473 HD11 ' CE2' ' A' ' 60' ' ' TYR . 21.9 mt -51.94 -54.72 26.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.0 mp -53.76 -56.32 9.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.9 tp -41.75 -40.52 2.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.501 HD11 ' CE2' ' A' ' 8' ' ' PHE . 72.1 mt -68.9 -45.07 71.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.0 mtm180 -58.32 -42.7 87.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.428 ' HD2' ' N ' ' A' ' 15' ' ' THR . 0.2 OUTLIER -72.35 -38.63 68.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.428 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 87.0 m -68.18 -35.33 77.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.181 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.9 tp -62.02 -39.55 92.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -65.48 -45.04 85.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -53.54 -35.6 60.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 50.2 mt -67.78 -39.34 84.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -59.9 -44.62 94.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -42.07 -45.78 4.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.946 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.451 ' HB2' ' CD2' ' A' ' 96' ' ' LEU . 28.9 mmtm -53.73 -42.24 67.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -78.88 85.1 4.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 52.1 p -70.99 -27.64 63.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.54 -17.05 69.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.437 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.0 m120 62.42 34.42 15.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.862 0.363 . . . . 0.0 110.914 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 21.4 mt -68.8 -36.59 74.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.173 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.563 ' CE1' HD11 ' A' ' 96' ' ' LEU . 3.6 m-85 -99.65 -10.05 22.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -56.88 -14.08 3.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -140.16 152.1 66.42 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.699 0.761 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 137.8 36.3 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.678 2.252 . . . . 0.0 112.343 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.5 t -65.17 129.96 94.63 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.584 0.707 . . . . 0.0 111.073 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 146.21 59.67 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.651 2.234 . . . . 0.0 112.332 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 54.0 mt -84.48 -25.35 28.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.5 t -52.99 -42.89 66.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.771 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -89.85 -22.38 22.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.818 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.1 t -127.19 83.08 66.92 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.622 0.725 . . . . 0.0 111.072 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -20.82 34.09 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.739 2.293 . . . . 0.0 112.353 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -110.61 26.52 10.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -52.9 -52.5 57.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 43' ' ' HIS . 54.1 mt -73.46 -37.85 65.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 41' ' ' LEU . 15.9 t70 -37.08 -30.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.465 ' N ' ' O ' ' A' ' 41' ' ' LEU . 39.5 m-70 -111.42 -35.06 5.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.4 mm -94.5 129.9 44.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.1 mmtt -89.86 -41.6 11.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.898 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.1 tttp -128.78 87.16 55.56 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.599 0.714 . . . . 0.0 110.878 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 109.63 2.37 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.694 2.263 . . . . 0.0 112.353 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 25.8 tpp -110.45 162.51 14.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -160.8 172.84 16.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -62.65 -56.52 16.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -65.86 -42.85 89.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.5 m -58.37 -54.54 45.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.453 ' HG3' ' N ' ' A' ' 54' ' ' LYS . 2.4 ppp? -55.1 -33.55 62.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.453 ' N ' ' HG3' ' A' ' 53' ' ' MET . 9.6 tptm -64.16 -48.03 77.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -52.07 -45.11 64.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.838 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -68.17 -37.66 81.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.463 HD21 ' N ' ' A' ' 58' ' ' GLU . 0.9 OUTLIER -61.75 -57.05 13.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.463 ' N ' HD21 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -57.91 -20.74 39.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.23 9.99 13.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.158 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.473 ' CE2' HD11 ' A' ' 9' ' ' LEU . 16.3 m-85 60.22 43.18 14.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.1 mtt85 -94.54 -23.95 17.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.474 ' CZ ' ' OD2' ' A' ' 71' ' ' ASP . 13.8 m-85 -107.53 111.52 23.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.977 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.6 mt -107.46 -23.09 12.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -117.44 134.32 54.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -42.99 -38.01 2.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -55.56 -42.18 74.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -64.73 -60.9 2.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -48.3 -45.11 34.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -67.1 -50.79 60.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -38.61 -52.53 1.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.474 ' OD2' ' CZ ' ' A' ' 62' ' ' TYR . 15.0 m-20 -52.69 -55.72 20.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.832 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -50.64 -43.3 57.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -53.0 -56.1 18.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.445 ' HB3' ' ND2' ' A' ' 78' ' ' ASN . 73.9 mt -44.49 -52.0 8.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 83.5 mt -40.48 -46.64 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 84.0 t -77.63 -51.5 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.074 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 80' ' ' LEU . 12.8 m -56.05 -65.57 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.811 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.445 ' ND2' ' HB3' ' A' ' 74' ' ' LEU . 83.7 m-20 -40.98 -33.01 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 6.4 t -76.72 -42.55 40.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.477 HD23 ' CE1' ' A' ' 90' ' ' TYR . 10.9 mt -75.28 -15.03 60.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -94.31 -25.39 17.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -84.33 -55.68 4.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.957 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.4 ' HB3' ' CG2' ' A' ' 87' ' ' THR . 6.1 m-80 -108.71 -175.34 2.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.566 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -119.45 -174.55 2.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.57 ' HG3' ' CE1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -64.78 -15.16 61.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.86 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -72.54 -27.97 62.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.852 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.4 ' CG2' ' HB3' ' A' ' 83' ' ' ASN . 72.9 p -85.77 165.42 16.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.513 ' O ' ' N ' ' A' ' 90' ' ' TYR . 3.9 mt -76.67 -65.0 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.445 ' N ' HG22 ' A' ' 88' ' ' ILE . 0.8 OUTLIER -37.92 -26.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.57 ' CE1' ' HG3' ' A' ' 85' ' ' LYS . 4.5 t80 -72.88 -68.36 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.011 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 44.2 mtp85 -49.01 -41.07 33.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.82 -40.98 99.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.33 -40.53 85.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 24.4 t -54.9 -41.42 57.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -64.82 -43.52 92.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.563 HD11 ' CE1' ' A' ' 28' ' ' PHE . 31.6 mt -58.29 -43.21 87.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 49.7 ttt85 -63.14 -35.84 81.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -75.39 -60.5 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -68.87 -56.96 6.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.984 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -38.26 -39.86 0.8 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.463 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -45.76 -47.95 13.34 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.43 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.02 -27.69 33.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 111.093 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 68.9 t -79.27 -45.57 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 56.4 mt -72.96 -17.62 61.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.0 mtp180 -87.34 -38.04 16.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -74.05 -35.51 64.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.28 -21.99 42.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 7.8 tpp85 -59.61 -50.36 74.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -55.55 -32.31 62.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -68.66 -57.61 5.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.42 -14.86 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.087 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -100.46 -40.22 7.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -60.35 -25.16 65.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.818 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 14.0 mmt -41.11 -59.19 1.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 154.35 -163.76 31.23 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.446 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.9 m -173.68 114.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.988 0.423 . . . . 0.0 110.883 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -155.22 146.89 15.16 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.562 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -50.14 0.49 Allowed 'Trans proline' 0 N--CA 1.466 -0.12 0 C-N-CA 122.726 2.284 . . . . 0.0 112.383 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 89.8 p -108.33 162.2 14.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 86.0 p -43.4 119.42 1.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.516 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t 51.74 40.9 28.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.788 0.327 . . . . 0.0 110.806 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -102.44 38.6 1.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.16 -38.67 1.63 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.561 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -74.85 79.03 2.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.91 0.386 . . . . 0.0 110.883 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.475 ' O ' ' N ' ' A' ' 9' ' ' LEU . 10.1 p -63.17 -57.04 11.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -34.35 -43.87 0.38 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.518 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.497 ' CE2' ' O ' ' A' ' 63' ' ' LEU . 87.8 t80 -58.17 -44.76 88.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 110.836 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.574 ' CD1' ' CE2' ' A' ' 60' ' ' TYR . 70.0 mt -59.47 -41.11 89.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.5 mp -68.56 -43.7 83.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.7 tp -52.96 -39.99 63.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.414 HD22 ' CG ' ' A' ' 68' ' ' PHE . 47.4 mt -69.29 -52.6 25.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -48.06 -44.21 31.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' ' 15' ' ' THR . 0.2 OUTLIER -71.12 -42.97 68.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.456 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 54.1 m -58.08 -49.68 76.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.417 ' CD2' ' HD3' ' A' ' 54' ' ' LYS . 20.6 tp -50.32 -46.66 55.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -54.13 -51.84 62.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -45.7 -48.4 15.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.5 mt -57.53 -46.45 83.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -51.3 -43.69 61.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -48.86 -43.68 39.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.4 mmtt -58.02 -40.82 81.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -71.9 79.74 0.89 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.5 p -66.21 -35.85 81.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.426 ' O ' ' CG ' ' A' ' 26' ' ' ASN . . . -78.28 -9.15 87.21 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.437 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.426 ' CG ' ' O ' ' A' ' 25' ' ' GLY . 5.1 p-10 46.82 44.75 14.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.797 0.332 . . . . 0.0 110.88 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 86.4 mt -79.83 -38.76 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.568 ' CE1' HD11 ' A' ' 96' ' ' LEU . 4.8 m-85 -92.06 -15.83 27.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -49.32 -18.73 0.4 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -132.53 152.34 79.82 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.697 0.76 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 133.56 25.84 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.642 2.228 . . . . 0.0 112.337 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.6 t -59.85 126.07 82.2 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.666 0.746 . . . . 0.0 111.162 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 141.95 46.77 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.685 2.257 . . . . 0.0 112.377 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 41.3 mt -82.46 -26.06 32.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.949 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.0 m -50.83 -40.91 56.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -90.81 -28.42 18.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.6 t -120.21 83.98 33.24 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.683 0.754 . . . . 0.0 111.126 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -17.9 37.51 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.695 2.264 . . . . 0.0 112.31 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -112.38 27.42 9.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -58.27 -61.96 2.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.437 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 24.7 mt -64.65 -33.09 75.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.899 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.0 -33.97 2.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.492 ' HB2' ' CE1' ' A' ' 82' ' ' TYR . 36.4 m-70 -105.75 -30.79 9.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.468 ' CD1' ' HD3' ' A' ' 81' ' ' LYS . 11.7 mm -101.47 123.7 54.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -82.27 -45.3 15.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.9 tttp -125.55 86.84 56.7 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.526 0.679 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.437 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 53.2 Cg_endo -69.73 113.41 3.36 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.642 2.228 . . . . 0.0 112.356 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 42.3 tpp -110.69 157.18 20.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -150.74 179.92 7.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -75.6 -39.68 57.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -77.48 -40.15 44.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.6 m -63.01 -52.71 61.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.152 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.6 ppp? -53.92 -36.53 62.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.417 ' HD3' ' CD2' ' A' ' 16' ' ' LEU . 14.8 tptm -65.68 -45.15 83.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -54.73 -46.33 74.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -66.25 -39.36 89.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.405 HD11 ' CB ' ' A' ' 12' ' ' LEU . 1.9 tt -61.08 -42.86 99.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -67.71 -19.43 65.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.36 20.53 7.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.154 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.574 ' CE2' ' CD1' ' A' ' 9' ' ' LEU . 8.2 m-85 51.61 43.68 29.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.1 mtt-85 -93.26 -22.4 19.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -110.15 107.97 17.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.497 ' O ' ' CE2' ' A' ' 8' ' ' PHE . 7.2 mt -105.74 -25.58 12.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -114.15 146.04 40.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -55.07 -49.5 71.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -46.04 -32.19 2.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.933 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -76.45 -59.65 2.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.414 ' CG ' HD22 ' A' ' 12' ' ' LEU . 20.0 t80 -54.87 -25.5 29.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -84.93 -31.16 23.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -58.2 -56.5 21.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.836 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.532 ' CG ' ' N ' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -49.26 -54.91 14.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.852 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.532 ' N ' ' CG ' ' A' ' 71' ' ' ASP . 12.8 t80 -50.73 -45.33 58.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -57.74 -49.42 76.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 14.7 mt -44.78 -52.49 8.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 57.7 mt -47.25 -47.15 9.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 89.4 t -67.91 -53.74 28.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 80' ' ' LEU . 10.3 p -61.96 -66.69 0.5 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 77' ' ' SER . 77.5 m-20 -36.18 -31.16 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.867 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.482 ' N ' ' O ' ' A' ' 77' ' ' SER . 7.8 t -81.22 -44.14 18.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 77' ' ' SER . 27.5 mt -71.79 -19.32 62.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.468 ' HD3' ' CD1' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -89.95 -36.23 15.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.844 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.492 ' CE1' ' HB2' ' A' ' 43' ' ' HIS . 12.7 t80 -77.48 -52.64 8.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.914 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -103.75 -176.38 3.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.647 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -125.68 -178.42 4.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.069 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.441 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -54.25 -34.3 60.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.937 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.08 -61.0 2.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 66.8 p -49.07 170.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.504 ' O ' ' N ' ' A' ' 90' ' ' TYR . 7.5 mt -87.07 -64.19 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.171 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.472 ' N ' HG22 ' A' ' 88' ' ' ILE . 0.8 OUTLIER -38.16 -26.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.647 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 7.8 t80 -68.41 -65.76 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.954 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 52.8 mtt-85 -52.15 -41.4 62.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.46 -48.04 83.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.072 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -55.67 -45.11 77.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 43.5 t -50.53 -51.81 17.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.16 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 6.2 ttp-105 -55.75 -54.98 37.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.568 HD11 ' CE1' ' A' ' 28' ' ' PHE . 13.3 mt -43.97 -47.53 8.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 50.6 ttt-85 -64.91 -35.16 80.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -65.12 -66.53 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -69.04 -49.12 60.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -42.15 -39.8 3.15 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -47.06 -44.76 19.51 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.538 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.65 -27.15 62.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.836 0.35 . . . . 0.0 111.126 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 87.6 t -82.1 -40.64 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 68.4 mt -75.76 -19.04 59.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 24.7 mtt85 -89.95 -39.27 13.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -70.88 -20.5 62.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -93.81 -38.37 11.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.048 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -47.55 -46.0 27.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -57.4 -34.58 69.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.954 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -66.68 -54.03 27.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.31 -16.92 1.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -94.92 -41.45 9.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 11.9 pttp -62.8 -28.37 69.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 8.3 mmt -39.37 -38.74 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 117.99 146.19 8.09 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.442 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 16.3 m -82.28 -45.31 15.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.933 0.397 . . . . 0.0 110.955 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 112.25 -95.14 0.78 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.488 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 116.22 4.46 Favored 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 122.698 2.265 . . . . 0.0 112.365 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 10.8 t -76.25 124.18 27.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.84 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.9 t -139.22 133.73 31.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.428 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t -97.54 106.93 19.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.833 0.349 . . . . 0.0 110.95 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 m -58.05 144.06 41.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.23 -124.4 1.39 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.482 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 p -106.68 35.82 2.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.873 0.368 . . . . 0.0 110.834 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 9' ' ' LEU . 4.4 p -71.25 -55.68 7.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.818 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.92 -45.68 1.63 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.457 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.451 ' CE1' HD13 ' A' ' 12' ' ' LEU . 43.8 t80 -60.18 -41.53 93.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.94 0.4 . . . . 0.0 110.899 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.501 HD12 ' CE2' ' A' ' 60' ' ' TYR . 18.9 mt -54.1 -41.94 68.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.976 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.3 mp -59.24 -44.56 92.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.141 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 52.0 tp -53.53 -38.23 63.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.451 HD13 ' CE1' ' A' ' 8' ' ' PHE . 7.5 mp -74.59 -47.54 31.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.7 mtp180 -61.52 -32.98 73.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -83.68 -32.9 25.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.452 ' N ' ' HG3' ' A' ' 14' ' ' LYS . 18.5 m -73.43 -37.77 65.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.218 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.421 ' CD1' ' SD ' ' A' ' 53' ' ' MET . 29.1 tp -56.98 -40.72 77.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -65.04 -47.89 75.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -53.61 -31.2 46.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.973 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.2 mt -73.33 -45.57 54.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 23' ' ' ASP . 10.5 mt-30 -53.41 -39.01 63.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -40.55 -42.84 1.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.404 ' HB2' ' CD2' ' A' ' 96' ' ' LEU . 24.8 mmtm -60.33 -42.33 95.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 20' ' ' GLN . 56.1 t0 -69.5 117.76 11.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.969 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.6 p -115.79 -24.95 7.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.203 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.44 ' O ' ' CG ' ' A' ' 26' ' ' ASN . . . -87.78 5.72 84.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.44 ' CG ' ' O ' ' A' ' 25' ' ' GLY . 1.9 p-10 46.25 42.71 10.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.828 0.347 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.427 HG22 ' CD1' ' A' ' 89' ' ' PHE . 74.7 mt -87.02 -36.59 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.063 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.475 ' CD1' HD12 ' A' ' 96' ' ' LEU . 4.3 m-85 -100.21 -14.81 18.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 t -51.97 -30.14 23.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -127.19 152.29 75.75 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.678 0.752 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.82 135.84 31.34 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.629 2.219 . . . . 0.0 112.392 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.3 t -53.86 126.48 50.52 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.663 0.745 . . . . 0.0 111.127 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 136.97 34.54 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.686 2.257 . . . . 0.0 112.354 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.3 mt -81.48 -38.49 26.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.9 t -48.09 -25.7 1.55 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -102.76 -29.45 11.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -130.81 83.84 60.26 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.625 0.726 . . . . 0.0 111.185 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -18.36 37.09 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.714 2.276 . . . . 0.0 112.298 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.49 ' OD1' ' CB ' ' A' ' 42' ' ' ASP . 6.4 t0 -99.28 14.32 29.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -57.86 -58.31 8.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.98 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.4 mt -63.02 -34.76 78.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.49 ' CB ' ' OD1' ' A' ' 39' ' ' ASP . 24.5 t0 -45.91 -41.76 11.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 45.4 m-70 -97.02 -41.58 8.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.9 mm -89.85 115.44 29.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.132 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.7 mmtm -75.03 -47.28 29.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -124.94 86.92 55.94 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.606 0.717 . . . . 0.0 110.879 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 97.8 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.669 2.246 . . . . 0.0 112.316 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.1 tpp -102.23 149.78 23.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -143.07 -177.44 5.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -73.89 -30.3 62.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -86.25 -47.5 9.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.6 m -54.17 -54.08 44.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.112 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.421 ' SD ' ' CD1' ' A' ' 16' ' ' LEU . 28.1 ptm -55.01 -38.27 67.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.816 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.3 tptm -58.39 -46.02 87.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -56.25 -58.32 8.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 57.6 m-20 -52.37 -39.52 60.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.951 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -58.71 -41.52 86.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.858 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.463 ' N ' HD23 ' A' ' 57' ' ' LEU . 58.8 mt-10 -76.02 -10.12 59.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -98.26 19.69 13.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.073 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.501 ' CE2' HD12 ' A' ' 9' ' ' LEU . 76.7 m-85 51.67 41.66 29.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 -93.04 -24.27 18.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -107.11 118.49 36.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.962 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.3 mt -117.04 -23.12 8.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.951 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -119.09 143.04 47.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -55.17 -41.78 72.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -52.24 -29.95 25.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -76.79 -62.44 1.64 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.413 ' CG ' ' HG ' ' A' ' 12' ' ' LEU . 24.2 t80 -50.88 -35.01 30.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -76.45 -21.06 56.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -73.83 -48.5 30.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 72' ' ' PHE . 0.3 OUTLIER -55.72 -44.72 77.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.482 ' N ' ' OD1' ' A' ' 71' ' ' ASP . 7.6 t80 -57.19 -50.25 73.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 -50.2 -47.52 54.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.457 ' HB3' ' ND2' ' A' ' 78' ' ' ASN . 15.2 mt -49.47 -43.83 45.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 26.6 mt -53.51 -46.0 59.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.462 ' CG1' HD13 ' A' ' 80' ' ' LEU . 55.6 t -71.24 -56.15 11.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.237 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.501 ' O ' ' N ' ' A' ' 80' ' ' LEU . 23.4 p -56.08 -70.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.457 ' ND2' ' HB3' ' A' ' 74' ' ' LEU . 94.5 m-20 -37.33 -28.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.931 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.491 ' N ' ' O ' ' A' ' 77' ' ' SER . 6.2 t -83.76 -42.81 16.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.811 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 77' ' ' SER . 58.5 mt -74.36 -12.63 60.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.975 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -96.38 -27.68 14.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -83.99 -49.21 9.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.921 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -100.22 178.48 4.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.795 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.611 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -120.3 166.09 13.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.055 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.504 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 17.0 mtmt -52.2 -29.66 23.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.1 -41.65 98.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 44.9 p -69.64 174.2 5.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.511 ' O ' ' N ' ' A' ' 90' ' ' TYR . 4.1 mt -85.56 -62.14 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.464 ' N ' HG23 ' A' ' 88' ' ' ILE . 0.7 OUTLIER -38.46 -26.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.611 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 7.5 t80 -70.12 -60.96 1.97 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 56.2 mtp85 -56.29 -40.04 73.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.41 -44.02 96.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.136 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.28 -39.8 93.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.071 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 24.4 t -56.31 -54.9 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.085 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.455 ' HE ' ' NE2' ' A' ' 99' ' ' GLN . 12.1 ttt-85 -56.53 -48.77 76.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.475 HD12 ' CD1' ' A' ' 28' ' ' PHE . 41.8 mt -45.04 -51.76 9.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 23.4 ttt180 -62.99 -39.24 94.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -60.37 -66.32 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.455 ' NE2' ' HE ' ' A' ' 95' ' ' ARG . 32.5 mt-30 -66.18 -51.33 58.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -43.03 -35.63 2.4 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.543 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -46.32 -41.17 11.52 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.08 -42.43 89.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 0.0 111.078 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 91.5 t -57.65 -50.58 76.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 52.6 mt -70.6 -22.04 62.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -77.12 -40.23 46.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.803 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -75.74 -21.8 57.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -89.68 -30.28 18.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -58.67 -46.65 86.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -56.06 -33.76 65.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 112' ' ' GLU . 8.3 mt-30 -67.51 -64.2 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -40.56 -25.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 110' ' ' GLN . 14.8 mt-10 -87.26 -43.37 12.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 23.1 pttt -60.46 -23.25 64.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 21.4 mmt -44.28 -53.92 6.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -82.18 -95.21 0.51 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.502 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 7.2 t -137.09 122.51 19.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.928 0.394 . . . . 0.0 110.831 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -100.56 -92.18 2.11 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.513 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.65 95.45 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.711 2.274 . . . . 0.0 112.322 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.5 t -68.24 -50.94 50.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 17.7 t -65.17 -60.44 3.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.466 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.409 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.2 t -62.61 131.44 49.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.917 0.389 . . . . 0.0 110.776 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -83.74 -58.84 2.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.25 -79.66 0.35 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.481 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -98.6 74.08 2.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 110.795 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -95.8 -46.41 6.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.39 -50.63 2.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.521 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.449 ' CE2' ' C ' ' A' ' 63' ' ' LEU . 66.8 t80 -53.15 -47.29 68.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.901 0.381 . . . . 0.0 110.916 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.479 HD13 ' CE2' ' A' ' 60' ' ' TYR . 16.5 mt -50.58 -51.47 47.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.7 mp -53.94 -48.36 63.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.7 tp -53.61 -36.72 62.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.437 ' HB3' ' CD1' ' A' ' 57' ' ' LEU . 9.9 mp -74.48 -44.78 49.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -61.08 -46.43 90.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.45 ' HZ1' ' NE2' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -69.95 -35.63 74.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.3 m -68.64 -45.41 71.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.2 tp -53.2 -37.44 61.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.968 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -70.05 -47.57 61.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.45 ' NE2' ' HZ1' ' A' ' 14' ' ' LYS . 33.6 mt-30 -48.57 -39.68 24.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.852 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.7 mt -65.85 -50.91 62.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -45.85 -43.73 13.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -42.22 -45.36 4.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -59.98 -40.63 89.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -74.32 103.58 4.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.9 p -90.33 -34.14 15.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.89 -15.08 81.27 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.489 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 m120 58.68 35.09 24.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.789 0.328 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 88.0 mt -68.66 -38.87 79.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.532 ' CE1' HD13 ' A' ' 96' ' ' LEU . 1.1 m-85 -92.69 -10.43 37.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 t -56.69 -13.94 2.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.846 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -141.6 152.27 62.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.657 0.742 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 137.08 34.47 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.641 2.227 . . . . 0.0 112.365 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 72.8 t -63.49 123.77 82.18 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.66 0.743 . . . . 0.0 111.113 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 136.16 32.1 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.663 2.242 . . . . 0.0 112.369 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 41.3 mt -72.97 -28.36 62.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.3 t -45.54 -43.08 11.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.83 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -90.34 -31.81 16.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.6 t -114.92 86.42 13.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.657 0.741 . . . . 0.0 111.099 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -19.93 35.28 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.344 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -116.04 32.95 5.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -60.21 -59.41 5.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.968 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 25.0 mt -64.99 -32.1 73.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -45.7 -39.24 7.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -99.91 -32.04 11.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.0 mm -101.75 120.15 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.164 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.56 -41.15 24.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -128.71 86.5 57.4 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.516 0.674 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 110.04 2.45 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.64 2.227 . . . . 0.0 112.339 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 47.3 tpp -113.34 155.51 25.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -160.06 176.82 11.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -63.88 -39.76 94.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -72.66 -51.62 18.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.6 m -56.73 -57.34 12.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 19.4 ptm -48.31 -43.37 33.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.406 ' C ' ' CD ' ' A' ' 54' ' ' LYS . 1.0 OUTLIER -55.72 -60.09 3.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.887 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 45.9 mm-40 -40.67 -44.84 2.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -69.39 -40.53 77.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.437 ' CD1' ' HB3' ' A' ' 12' ' ' LEU . 2.7 tt -61.98 -51.75 66.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -67.17 -18.95 65.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.71 7.68 29.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.13 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.479 ' CE2' HD13 ' A' ' 9' ' ' LEU . 53.7 m-85 62.42 46.34 5.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.4 mtt-85 -100.66 -25.48 14.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.481 ' CZ ' ' OD2' ' A' ' 71' ' ' ASP . 22.7 m-85 -102.89 101.39 11.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.449 ' C ' ' CE2' ' A' ' 8' ' ' PHE . 6.9 mt -101.65 -24.58 14.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -118.91 135.7 54.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 66' ' ' ASP . 12.2 t80 -43.11 -57.89 2.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 65' ' ' PHE . 5.7 m-20 -35.16 -44.77 0.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -64.6 -53.76 42.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.409 ' CG ' ' HG ' ' A' ' 12' ' ' LEU . 84.6 t80 -56.3 -34.88 66.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -72.3 -47.58 48.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -44.59 -55.76 4.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.481 ' OD2' ' CZ ' ' A' ' 62' ' ' TYR . 2.5 m-20 -47.62 -58.32 4.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -48.31 -53.24 18.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -44.55 -52.71 7.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 63.6 mt -52.6 -50.75 62.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.0 mt -41.32 -35.47 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.413 ' CG1' HD12 ' A' ' 80' ' ' LEU . 48.5 t -91.19 -47.57 14.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 80' ' ' LEU . 4.8 t -55.07 -70.3 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -40.01 -34.83 0.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 7.3 t -78.88 -35.98 42.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.664 ' CD2' ' CE1' ' A' ' 90' ' ' TYR . 78.6 mt -82.44 -8.05 59.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.83 -31.78 9.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -75.96 -52.95 9.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -107.51 -177.95 3.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.46 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -122.76 161.88 23.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.073 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.475 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 78.2 mttt -39.85 -30.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -55.62 -46.61 77.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 80.2 p -67.27 170.35 7.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.16 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.503 ' O ' ' N ' ' A' ' 90' ' ' TYR . 4.9 mt -82.24 -64.03 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.131 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.463 ' N ' HG23 ' A' ' 88' ' ' ILE . 0.7 OUTLIER -38.6 -26.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.664 ' CE1' ' CD2' ' A' ' 80' ' ' LEU . 4.6 t80 -71.08 -64.08 0.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 60.2 mtt-85 -52.66 -37.37 58.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.33 -40.93 96.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.13 -39.64 82.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 15.0 t -52.47 -49.56 42.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -58.99 -54.47 46.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.532 HD13 ' CE1' ' A' ' 28' ' ' PHE . 76.2 mt -48.71 -42.08 33.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 55.2 ttt85 -66.25 -35.7 81.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -75.91 -66.19 0.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -62.55 -53.05 60.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -44.29 -40.21 5.89 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -43.49 -35.61 2.93 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.413 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.67 -35.01 78.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.843 0.354 . . . . 0.0 111.064 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.417 HG13 ' CB ' ' A' ' 18' ' ' GLN . 59.8 t -71.04 -36.33 62.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.071 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 89.8 mt -80.51 -26.78 37.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.812 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.8 mtp85 -78.28 -38.47 42.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.845 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -75.8 -22.7 56.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -89.36 -36.21 15.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.07 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -51.24 -45.86 62.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -57.68 -34.45 69.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -67.45 -55.08 15.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -52.77 -17.62 1.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -97.06 -39.82 9.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 10.2 pttp -61.26 -21.06 63.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.938 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 11.6 mmt -49.73 -56.73 9.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -179.04 -122.44 0.76 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.549 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.2 t -122.5 86.27 2.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.904 0.383 . . . . 0.0 110.808 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -84.79 -91.3 0.79 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.83 128.2 15.63 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.703 2.269 . . . . 0.0 112.325 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.9 t -117.13 119.03 33.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.9 m -116.93 128.37 55.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.85 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.477 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.5 m -68.75 168.02 14.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.856 0.36 . . . . 0.0 110.895 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.9 t -76.97 103.97 7.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.53 -104.65 0.18 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.468 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.8 m -126.18 78.11 1.74 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.928 0.395 . . . . 0.0 110.829 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 p -88.2 -47.42 8.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.75 -43.46 2.34 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.482 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -61.54 -43.28 99.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.889 0.376 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.482 HD12 ' CE2' ' A' ' 60' ' ' TYR . 76.4 mt -53.29 -41.95 66.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.7 mp -62.22 -43.57 98.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 44.4 tp -52.83 -39.02 62.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.451 ' HG ' ' CD2' ' A' ' 68' ' ' PHE . 8.1 mp -70.36 -50.75 35.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 81.4 mtt180 -51.82 -42.21 62.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.421 ' C ' ' HD2' ' A' ' 14' ' ' LYS . 1.0 OUTLIER -71.13 -40.39 71.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 53.0 m -62.84 -54.01 45.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.108 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.6 tp -45.57 -46.81 14.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -60.09 -41.24 92.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -61.23 -40.02 92.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 44.2 mt -66.39 -45.92 78.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 23' ' ' ASP . 6.4 mm-40 -54.56 -46.86 73.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 20' ' ' GLN . 17.6 mt-10 -37.27 -48.09 0.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt -54.35 -43.25 71.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 53.1 t0 -58.67 114.6 2.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.3 p -104.39 -42.43 5.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.99 11.32 48.88 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.466 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.477 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 8.7 p-10 40.1 33.42 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 110.916 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 80.1 mt -72.87 -37.78 55.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.166 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.536 ' CE1' HD12 ' A' ' 96' ' ' LEU . 4.5 m-85 -99.56 -17.25 17.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 t -55.11 -17.37 3.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -131.1 152.44 80.65 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.668 0.746 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 137.69 36.0 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.674 2.249 . . . . 0.0 112.304 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.7 t -59.19 114.61 9.6 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.687 0.756 . . . . 0.0 111.143 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 119.85 6.73 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.744 2.296 . . . . 0.0 112.311 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.36 -31.7 71.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.9 t -43.15 -39.93 3.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -94.71 -31.61 13.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.447 ' CG1' ' OH ' ' A' ' 82' ' ' TYR . 2.1 t -112.25 86.87 8.4 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.617 0.722 . . . . 0.0 111.065 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -18.47 36.96 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.638 2.226 . . . . 0.0 112.38 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -119.43 34.93 5.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -57.85 -55.81 30.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.469 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 26.8 mt -69.41 -42.37 75.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.96 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 41' ' ' LEU . 3.8 m-20 -34.41 -39.82 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -99.63 -32.6 11.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.8 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.0 mm -103.73 122.55 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.2 -49.16 10.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.4 ' HE3' ' CE ' ' A' ' 48' ' ' MET . 0.8 OUTLIER -115.2 86.73 14.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.614 0.721 . . . . 0.0 110.818 179.862 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.469 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 54.3 Cg_endo -69.78 143.79 51.85 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.75 2.3 . . . . 0.0 112.326 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.4 ' CE ' ' HE3' ' A' ' 46' ' ' LYS . 34.3 tpp -148.29 164.17 34.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -164.36 172.12 13.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -67.93 -25.12 65.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.478 ' C ' ' CD1' ' A' ' 51' ' ' PHE . 1.4 t80 -90.85 -35.3 14.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 42.6 m -61.86 -53.9 49.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.176 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 8.0 ptm -55.43 -42.75 74.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.01 -50.22 58.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -53.33 -54.76 31.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.973 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -56.82 -45.33 82.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.4 tt -57.22 -44.22 83.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -68.06 -17.89 64.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.46 15.42 23.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.155 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.482 ' CE2' HD12 ' A' ' 9' ' ' LEU . 3.5 m-85 56.51 44.16 24.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -91.82 -27.71 17.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.514 ' CE1' ' OD2' ' A' ' 71' ' ' ASP . 27.1 m-85 -101.71 97.96 8.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.998 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.7 mt -97.02 -27.66 14.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -115.15 128.66 56.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 66' ' ' ASP . 64.0 t80 -38.97 -53.74 1.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 65' ' ' PHE . 9.4 t70 -37.84 -48.5 1.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -59.65 -55.69 31.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.805 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.451 ' CD2' ' HG ' ' A' ' 12' ' ' LEU . 19.9 t80 -55.4 -24.44 30.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -83.35 -44.63 14.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -47.1 -52.86 14.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.514 ' OD2' ' CE1' ' A' ' 62' ' ' TYR . 19.0 m-20 -49.01 -63.08 1.2 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -42.54 -46.69 4.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -53.99 -43.13 69.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.849 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.439 ' HB3' ' ND2' ' A' ' 78' ' ' ASN . 50.4 mt -63.17 -44.89 94.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 98.9 mt -48.56 -33.8 5.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.6 t -89.62 -43.19 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.13 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 79' ' ' CYS . 1.2 t -62.31 -70.43 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.795 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.439 ' ND2' ' HB3' ' A' ' 74' ' ' LEU . 89.7 m-20 -36.18 -32.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 77' ' ' SER . 3.6 t -80.57 -47.48 14.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.435 ' CD2' ' CE1' ' A' ' 90' ' ' TYR . 42.4 mt -63.7 -20.26 65.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.8 tttt -91.29 -44.32 9.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.447 ' OH ' ' CG1' ' A' ' 37' ' ' VAL . 4.8 t80 -59.43 -63.19 1.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.408 ' HB3' ' CG2' ' A' ' 87' ' ' THR . 1.1 m-80 -100.41 -178.83 3.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.629 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -122.68 162.05 22.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.056 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.564 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 72.9 mttt -37.48 -37.91 0.22 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -50.26 -48.27 54.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.824 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.408 ' CG2' ' HB3' ' A' ' 83' ' ' ASN . 44.0 p -66.89 165.5 15.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.109 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.505 ' O ' ' N ' ' A' ' 90' ' ' TYR . 1.8 mt -77.1 -62.18 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.465 ' N ' HG22 ' A' ' 88' ' ' ILE . 0.6 OUTLIER -38.53 -26.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.846 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.629 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 3.6 t80 -71.77 -58.34 3.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 31.4 mtt-85 -58.69 -37.68 76.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.77 -36.98 86.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.18 -39.75 75.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 25.5 t -55.2 -35.71 37.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.153 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 5.6 ttp-105 -67.17 -54.4 21.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.536 HD12 ' CE1' ' A' ' 28' ' ' PHE . 96.4 mt -49.23 -47.37 46.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -62.64 -34.65 77.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -76.01 -67.69 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -63.33 -50.09 71.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 103' ' ' VAL . . . -41.96 -45.54 4.89 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.529 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -37.36 -48.32 1.61 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.443 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.63 -42.59 79.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.777 0.322 . . . . 0.0 111.096 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 100' ' ' GLY . 78.6 t -63.15 -40.0 87.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.11 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 79.6 mt -77.33 -26.53 52.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.6 mtt85 -76.22 -43.11 43.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.844 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -69.85 -26.8 64.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.858 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -90.81 -26.2 19.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.084 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -59.23 -48.76 80.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -56.6 -33.82 66.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -66.25 -55.34 16.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.58 -14.0 1.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.059 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -103.77 -34.74 8.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -66.2 -20.48 66.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 10.1 mmt -45.56 -52.85 9.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -129.22 -104.81 1.15 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 89.4 p -173.21 110.53 0.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.845 0.355 . . . . 0.0 110.815 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -127.48 -92.6 0.78 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.517 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 95.65 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.664 2.243 . . . . 0.0 112.332 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 20.3 m -88.32 145.65 25.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 92.7 p -147.51 110.83 4.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.818 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.482 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.3 p -148.57 148.71 30.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.927 0.394 . . . . 0.0 110.783 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.0 m -101.62 128.16 48.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.848 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.0 -54.49 0.52 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.493 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -82.87 43.23 0.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.878 0.371 . . . . 0.0 110.864 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 9' ' ' LEU . 19.7 m -55.82 -45.46 78.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -40.11 -51.47 3.5 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.512 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.512 ' CZ ' HD12 ' A' ' 12' ' ' LEU . 57.5 t80 -53.41 -35.84 60.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.89 0.376 . . . . 0.0 110.79 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 6' ' ' SER . 44.5 mt -61.26 -46.67 89.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.98 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.3 mp -61.45 -33.84 58.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.06 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.66 -31.09 71.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.512 HD12 ' CZ ' ' A' ' 8' ' ' PHE . 10.5 mp -76.14 -54.36 6.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -50.83 -40.36 55.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.827 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 15' ' ' THR . 0.6 OUTLIER -75.2 -45.13 42.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.455 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 27.5 m -60.01 -34.35 73.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.156 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.468 ' CD2' ' HD3' ' A' ' 54' ' ' LYS . 54.5 tp -62.74 -41.29 99.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -62.78 -46.34 88.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.589 HE22 ' NE2' ' A' ' 106' ' ' GLN . 22.6 mt-30 -54.71 -35.6 63.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 67.4 mt -71.36 -39.62 71.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 21' ' ' GLU . 9.2 mt-30 -55.44 -48.2 74.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 20' ' ' GLN . 12.2 mm-40 -36.33 -49.94 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.435 ' HD2' ' CB ' ' A' ' 99' ' ' GLN . 24.8 mmtm -49.29 -46.37 46.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 59.9 t0 -54.89 118.89 4.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.822 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.4 p -105.6 -48.06 3.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.64 9.09 45.19 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.472 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 4.8 p-10 40.56 33.73 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.832 0.349 . . . . 0.0 110.855 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.463 HG21 ' CD1' ' A' ' 89' ' ' PHE . 74.2 mt -71.57 -37.31 63.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.563 ' CE1' HD12 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -96.02 -23.11 16.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -42.32 -24.19 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.901 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 28' ' ' PHE . 12.0 mt-10 -129.75 151.57 78.35 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.678 0.751 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 134.87 29.01 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.591 2.194 . . . . 0.0 112.364 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 83.4 t -56.76 119.84 32.82 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.635 0.731 . . . . 0.0 111.126 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.65 127.73 15.11 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.669 2.246 . . . . 0.0 112.413 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 69.2 mt -69.23 -31.32 69.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.9 t -44.01 -39.88 4.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -95.82 -28.23 14.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.5 t -115.75 84.55 12.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.595 0.712 . . . . 0.0 111.147 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -18.01 37.23 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.692 2.261 . . . . 0.0 112.328 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -117.34 32.57 6.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.445 ' CE2' ' HB3' ' A' ' 47' ' ' PRO . 22.4 t80 -57.57 -45.37 85.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.437 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 11.0 mt -79.44 -30.42 42.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -40.23 -38.17 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 46.7 m-70 -109.1 -31.15 7.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.416 HG23 ' CG ' ' A' ' 78' ' ' ASN . 19.0 mm -95.02 100.91 11.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -59.89 -46.41 89.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.1 tttt -132.24 91.91 30.26 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.611 0.719 . . . . 0.0 110.914 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.445 ' HB3' ' CE2' ' A' ' 40' ' ' TYR . 53.4 Cg_endo -69.76 140.05 41.73 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.593 2.195 . . . . 0.0 112.363 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 27.6 tpp -141.27 155.74 45.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -153.23 177.99 10.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.914 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -70.24 -32.93 71.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.449 ' C ' ' CD1' ' A' ' 51' ' ' PHE . 1.1 t80 -87.66 -38.99 15.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.5 m -57.82 -53.42 58.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.19 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 15.5 ptm -55.38 -42.33 73.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.468 ' HD3' ' CD2' ' A' ' 16' ' ' LEU . 8.6 tptm -53.86 -48.84 69.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -51.45 -48.39 62.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -65.98 -37.89 87.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.464 HD23 ' N ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -61.43 -43.74 98.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.464 ' N ' HD23 ' A' ' 57' ' ' LEU . 36.6 mt-10 -72.18 -12.98 61.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.09 12.5 30.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.064 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 59.64 41.42 18.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.979 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.6 mtt85 -91.92 -32.46 15.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.412 ' CZ ' ' OD2' ' A' ' 71' ' ' ASP . 23.5 m-85 -100.33 102.82 14.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.964 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.7 mt -99.24 -27.16 13.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -117.59 145.57 44.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -52.87 -53.88 42.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -38.67 -36.49 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -73.71 -55.46 6.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.472 ' CG ' ' HG ' ' A' ' 12' ' ' LEU . 83.1 t80 -53.14 -31.71 43.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -79.24 -43.55 23.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.835 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -46.55 -43.23 16.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.412 ' OD2' ' CZ ' ' A' ' 62' ' ' TYR . 4.0 m-20 -61.1 -60.35 3.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -43.73 -42.45 5.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -56.45 -46.48 80.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.463 ' HB3' ' ND2' ' A' ' 78' ' ' ASN . 34.4 mt -52.23 -58.33 6.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.426 ' C ' ' O ' ' A' ' 74' ' ' LEU . 48.9 mt -35.84 -48.07 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 48.2 t -71.63 -49.14 48.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 80' ' ' LEU . 5.4 t -60.55 -67.8 0.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.463 ' ND2' ' HB3' ' A' ' 74' ' ' LEU . 89.7 m-20 -38.11 -35.69 0.17 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.5 t -78.13 -40.47 37.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.918 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.512 HD22 ' CE2' ' A' ' 90' ' ' TYR . 85.6 mt -72.34 -12.05 60.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -100.57 -40.86 7.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -73.77 -41.16 62.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.473 ' ND2' ' HB2' ' A' ' 89' ' ' PHE . 69.7 m-80 -94.0 -174.49 3.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.933 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -121.47 -174.98 2.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.073 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.521 ' HD3' ' CZ ' ' A' ' 90' ' ' TYR . 8.3 mmtp -75.51 -20.66 58.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -102.99 45.84 0.94 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 20.7 p -135.59 164.46 27.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.193 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 90' ' ' TYR . 8.9 mt -76.49 -66.39 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.178 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.473 ' HB2' ' ND2' ' A' ' 83' ' ' ASN . 5.6 m-85 -38.29 -26.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.521 ' CZ ' ' HD3' ' A' ' 85' ' ' LYS . 2.7 t80 -72.5 -55.88 6.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 -60.0 -36.7 77.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.33 -37.73 88.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.14 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.06 -37.94 64.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.495 HG23 ' CE1' ' A' ' 90' ' ' TYR . 10.1 t -54.59 -49.22 68.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.151 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -60.46 -40.83 92.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.563 HD12 ' CE1' ' A' ' 28' ' ' PHE . 20.3 mt -57.94 -44.72 87.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 59.1 ttt-85 -65.79 -39.69 91.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -68.44 -63.69 1.01 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.435 ' CB ' ' HD2' ' A' ' 22' ' ' LYS . 48.0 mt-30 -66.09 -50.6 63.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -39.05 -43.32 1.79 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.458 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -43.24 -41.34 4.94 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.477 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.6 -42.34 98.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.839 0.352 . . . . 0.0 111.121 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 96.1 t -67.11 -41.27 86.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 56.7 mt -73.49 -35.51 65.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.5 mtt85 -69.89 -46.52 65.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.589 ' NE2' HE22 ' A' ' 18' ' ' GLN . 14.0 pt20 -62.28 -30.97 71.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -85.97 -27.49 24.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -58.14 -51.3 70.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -50.99 -33.42 24.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -70.93 -51.62 24.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.24 -13.99 6.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.12 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -100.52 -44.15 5.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.9 pttp -55.39 -24.07 27.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 8.5 mmt -44.23 -58.27 2.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -154.42 112.05 0.51 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.508 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 30.6 t -87.51 90.12 8.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.895 0.379 . . . . 0.0 110.85 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -112.48 -93.29 2.09 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.465 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.89 -23.76 29.83 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.652 2.234 . . . . 0.0 112.307 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 33.0 m -58.09 122.52 13.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.856 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.8 p -134.5 121.59 21.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 -179.952 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 m -138.25 140.64 39.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.891 0.377 . . . . 0.0 110.818 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -103.2 150.68 23.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.907 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.06 94.75 0.1 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.563 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -99.9 43.91 1.04 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.883 0.373 . . . . 0.0 110.865 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 9' ' ' LEU . 13.1 m -54.41 -48.72 71.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -34.37 -51.43 0.73 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.531 ' CE2' ' O ' ' A' ' 63' ' ' LEU . 53.3 t80 -54.6 -42.76 71.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.92 0.39 . . . . 0.0 110.875 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 6' ' ' SER . 24.6 mt -54.85 -50.42 68.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.941 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.5 mp -52.95 -42.53 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 43.1 tp -54.97 -38.46 67.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.485 ' HG ' ' CG ' ' A' ' 68' ' ' PHE . 10.0 mp -70.91 -44.51 66.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 61.6 mtt-85 -61.37 -48.29 81.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -36.05 73.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.4 m -69.43 -39.12 78.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.486 ' CD1' ' SD ' ' A' ' 53' ' ' MET . 27.3 tp -55.17 -39.8 69.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -68.46 -49.56 58.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -44.16 -42.04 6.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.427 HD11 ' CD2' ' A' ' 72' ' ' PHE . 38.5 mt -65.23 -50.21 66.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -45.15 -40.36 7.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -48.09 -44.82 32.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.3 mmtm -60.38 -37.93 82.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -73.28 79.28 1.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 65.2 p -64.39 -38.18 90.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.08 -9.01 87.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.469 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.5 p30 45.49 34.16 1.54 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.771 0.319 . . . . 0.0 110.848 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 80.1 mt -70.23 -36.61 68.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.084 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.558 ' CE1' HD11 ' A' ' 96' ' ' LEU . 1.1 m-85 -94.7 -5.25 45.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -58.77 -12.85 4.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -138.23 152.26 71.26 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.609 0.718 . . . . 0.0 110.919 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 135.15 29.78 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.643 2.229 . . . . 0.0 112.325 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 81.0 t -61.44 123.88 78.39 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.625 0.726 . . . . 0.0 111.094 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 136.11 31.96 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.646 2.23 . . . . 0.0 112.327 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.3 mt -70.94 -27.73 63.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.5 t -45.13 -45.49 11.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.805 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -89.42 -31.47 17.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.4 t -114.5 86.23 12.16 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.601 0.715 . . . . 0.0 111.145 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -19.26 36.52 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.715 2.277 . . . . 0.0 112.319 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.1 33.51 5.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.481 ' CE2' ' HB3' ' A' ' 47' ' ' PRO . 33.1 t80 -60.12 -57.26 13.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.443 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 24.0 mt -65.16 -41.04 95.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.004 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -39.57 -43.81 1.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.818 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -97.24 -37.64 10.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.7 mm -96.62 99.89 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.5 mmtt -60.56 -52.64 64.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.438 ' HE2' ' CD1' ' A' ' 74' ' ' LEU . 44.1 tttt -117.81 87.88 28.68 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.618 0.723 . . . . 0.0 110.87 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.481 ' HB3' ' CE2' ' A' ' 40' ' ' TYR . 53.5 Cg_endo -69.84 101.53 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.693 2.262 . . . . 0.0 112.264 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 43.5 tpp -98.24 154.88 17.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -154.9 164.77 38.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -59.45 -36.27 75.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.829 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -85.49 -36.76 20.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 62.4 m -62.67 -43.86 97.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.486 ' SD ' ' CD1' ' A' ' 16' ' ' LEU . 18.0 ptm -62.58 -39.56 94.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.404 ' HD3' ' CD2' ' A' ' 16' ' ' LEU . 14.3 tptp -59.52 -46.17 89.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.939 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -53.51 -50.53 65.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -62.86 -35.75 81.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.445 HD23 ' N ' ' A' ' 58' ' ' GLU . 0.4 OUTLIER -65.49 -45.16 84.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.949 179.891 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.445 ' N ' HD23 ' A' ' 57' ' ' LEU . 14.4 mt-10 -66.78 -13.87 61.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.69 8.81 44.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.083 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.407 ' CE2' HD13 ' A' ' 9' ' ' LEU . 27.1 m-85 62.28 44.16 7.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.845 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.5 mtt-85 -94.88 -24.77 16.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -105.66 103.68 13.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.963 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.531 ' O ' ' CE2' ' A' ' 8' ' ' PHE . 8.2 mt -101.08 -28.28 12.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -115.2 147.03 40.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -55.18 -50.65 68.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -43.24 -35.47 1.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -72.99 -57.82 3.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.485 ' CG ' ' HG ' ' A' ' 12' ' ' LEU . 64.1 t80 -53.01 -34.52 56.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -73.1 -50.5 22.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -40.66 -51.14 3.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.96 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.22 -59.53 4.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.427 ' CD2' HD11 ' A' ' 19' ' ' LEU . 34.8 t80 -46.08 -45.05 16.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -54.49 -46.15 73.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.964 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.438 ' CD1' ' HE2' ' A' ' 46' ' ' LYS . 29.4 mt -54.37 -59.7 4.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.838 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 74' ' ' LEU . 66.7 mt -36.12 -35.23 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.16 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 70.2 t -86.59 -48.28 15.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 80' ' ' LEU . 1.7 t -61.92 -66.54 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.808 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 77' ' ' SER . 95.2 m-20 -37.6 -32.91 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.403 ' N ' ' O ' ' A' ' 77' ' ' SER . 11.9 t -80.83 -42.59 21.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 77' ' ' SER . 19.0 mt -74.34 -10.13 59.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.4 ptmm? -101.14 -25.28 14.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.863 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -84.3 -50.28 7.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -109.33 -175.0 2.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.508 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -127.0 159.26 34.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.076 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.555 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 20.7 mttp -35.87 -35.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 84' ' ' ALA . 8.3 t70 -49.59 -49.28 47.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 82.3 p -67.15 172.69 4.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.16 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.514 ' O ' ' N ' ' A' ' 90' ' ' TYR . 7.4 mt -84.17 -64.34 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.21 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.457 ' N ' HG23 ' A' ' 88' ' ' ILE . 0.7 OUTLIER -37.92 -26.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.555 ' CD1' ' HA ' ' A' ' 85' ' ' LYS . 3.2 t80 -70.48 -56.44 6.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.6 mtp85 -58.02 -48.13 81.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.86 -44.78 70.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.136 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.61 -41.4 90.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.9 t -56.02 -46.69 80.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.169 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -61.96 -51.58 67.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.558 HD11 ' CE1' ' A' ' 28' ' ' PHE . 13.9 mt -50.74 -43.23 58.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 46.1 ttt85 -63.27 -38.83 92.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -72.0 -60.16 2.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -64.71 -57.14 9.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -44.08 -34.27 3.08 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.454 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -48.62 -38.49 21.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.509 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.45 -37.31 84.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.33 . . . . 0.0 111.062 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.412 ' HB ' ' CD2' ' A' ' 19' ' ' LEU . 57.6 t -69.1 -36.51 73.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 82.5 mt -82.08 -25.74 34.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.955 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 -79.53 -32.56 42.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.406 ' HA ' ' NE ' ' A' ' 109' ' ' ARG . 7.7 pt20 -82.32 -22.43 35.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -92.76 -22.76 19.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 44.1 ttt-85 -59.7 -50.74 72.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.406 ' NE ' ' HA ' ' A' ' 106' ' ' GLN . 15.0 ptp180 -53.7 -33.75 56.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -64.52 -61.26 2.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -49.81 -17.99 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.166 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -91.87 -38.67 12.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 15.2 pttm -66.25 -27.51 68.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 11.3 mmt -40.93 -63.62 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.04 -158.19 15.25 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.508 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 42.6 m -94.94 90.89 6.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.914 0.388 . . . . 0.0 110.893 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -77.21 -158.09 9.09 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.475 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 157.12 61.56 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.707 2.271 . . . . 0.0 112.373 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.2 t -158.07 179.18 9.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.6 m -94.58 111.69 23.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.802 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.461 -179.951 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.0 m -109.54 174.33 5.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.891 0.377 . . . . 0.0 110.852 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.3 p -126.52 -57.05 1.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.43 45.83 0.42 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.494 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -66.32 82.3 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.822 0.344 . . . . 0.0 110.834 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 p -81.01 -54.57 5.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.56 -47.55 2.97 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.439 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.466 ' CE2' ' O ' ' A' ' 63' ' ' LEU . 75.4 t80 -54.04 -39.9 66.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.932 0.396 . . . . 0.0 110.898 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.547 HD13 ' CD2' ' A' ' 60' ' ' TYR . 74.4 mt -57.57 -36.96 72.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.6 mp -67.18 -40.71 85.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 27.5 tp -53.58 -39.41 64.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.48 ' HG ' ' CD2' ' A' ' 68' ' ' PHE . 3.0 mp -69.61 -47.19 64.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.412 ' NH1' ' HB3' ' A' ' 13' ' ' ARG . 13.7 mtp-105 -57.53 -37.93 73.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -77.29 -39.58 47.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.0 m -64.49 -44.24 91.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.419 ' CD1' ' SD ' ' A' ' 53' ' ' MET . 26.9 tp -53.67 -38.89 64.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -66.34 -43.09 87.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -57.64 -32.9 67.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.938 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.445 HD12 ' CD1' ' A' ' 72' ' ' PHE . 57.0 mt -69.99 -43.35 71.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -56.21 -37.36 69.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.97 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -43.71 -36.68 2.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -75.08 -35.86 61.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -66.88 114.21 5.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.958 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 47.8 p -117.77 -28.27 6.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.0 3.15 86.52 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.509 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 41.87 44.91 3.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.759 0.314 . . . . 0.0 110.881 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.531 HG22 ' CD1' ' A' ' 89' ' ' PHE . 77.0 mt -91.63 -36.15 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.559 ' CE1' HD12 ' A' ' 96' ' ' LEU . 3.4 m-85 -99.31 -18.79 17.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.845 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -50.09 -18.89 0.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -134.11 152.1 77.76 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.703 0.763 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 130.43 19.26 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.712 2.275 . . . . 0.0 112.338 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.9 t -51.41 121.79 18.0 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.617 0.722 . . . . 0.0 111.104 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 137.39 35.39 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.69 2.26 . . . . 0.0 112.314 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 70.5 mt -74.28 -21.98 59.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.1 t -51.78 -43.85 63.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -91.98 -28.04 17.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.4 t -117.53 87.39 25.43 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.657 0.741 . . . . 0.0 111.11 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -25.37 28.29 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.637 2.225 . . . . 0.0 112.303 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -111.56 32.39 5.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.926 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -55.85 -55.51 31.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.956 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.465 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 36.5 mt -69.34 -39.44 78.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.936 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -39.8 -33.75 0.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -106.42 -32.36 8.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 35.9 mm -100.14 116.56 43.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.078 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -75.55 -46.66 30.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.3 tttp -124.27 87.23 53.96 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.588 0.708 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.465 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 53.6 Cg_endo -69.77 114.93 3.87 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.643 2.229 . . . . 0.0 112.424 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.412 ' O ' ' CG ' ' A' ' 49' ' ' ASP . 46.5 tpp -112.95 163.21 14.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.781 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.412 ' CG ' ' O ' ' A' ' 48' ' ' MET . 5.7 m-20 -161.12 172.64 16.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -66.6 -35.09 79.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -84.61 -42.83 15.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.8 m -58.83 -52.32 66.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.424 ' HG3' ' N ' ' A' ' 54' ' ' LYS . 21.4 ptm -53.84 -44.96 70.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.424 ' N ' ' HG3' ' A' ' 53' ' ' MET . 12.6 tptm -54.01 -52.56 60.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -47.0 -51.56 16.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -62.87 -34.87 78.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.465 HD21 ' N ' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -64.7 -42.71 95.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.465 ' N ' HD21 ' A' ' 57' ' ' LEU . 32.7 mt-10 -77.46 -12.6 59.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.01 9.18 36.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.082 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.547 ' CD2' HD13 ' A' ' 9' ' ' LEU . 92.3 m-85 62.08 44.16 8.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.8 mtt-85 -99.81 -25.03 14.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.536 ' CZ ' ' OD2' ' A' ' 71' ' ' ASP . 17.2 m-85 -105.27 101.83 11.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.466 ' O ' ' CE2' ' A' ' 8' ' ' PHE . 8.6 mt -99.84 -28.58 13.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -114.68 149.81 36.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.936 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.487 ' CD2' ' HG3' ' A' ' 108' ' ' ARG . 22.4 t80 -56.54 -41.26 76.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -51.76 -36.09 46.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -67.96 -60.93 2.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.48 ' CD2' ' HG ' ' A' ' 12' ' ' LEU . 21.1 t80 -54.07 -36.73 63.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -66.55 -47.21 73.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -49.65 -50.29 43.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.536 ' OD2' ' CZ ' ' A' ' 62' ' ' TYR . 4.2 m-20 -50.3 -64.37 0.83 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.474 ' CE2' HD12 ' A' ' 104' ' ' LEU . 15.2 t80 -45.38 -49.16 13.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -48.51 -49.44 35.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.953 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 41.4 mt -54.01 -52.01 62.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.937 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 75.5 mt -40.14 -37.79 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.1 t -87.57 -48.42 15.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.145 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 80' ' ' LEU . 19.0 m -57.01 -68.04 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 77' ' ' SER . 76.6 m-20 -34.49 -36.23 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 77' ' ' SER . 35.6 t -77.42 -47.67 19.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 77' ' ' SER . 66.5 mt -69.17 -10.59 58.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.936 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -104.34 -29.46 10.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -85.52 -51.52 6.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -104.59 178.62 4.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.64 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -117.83 -178.77 3.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 78.4 mttt -63.01 -23.36 67.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -63.15 -39.0 93.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 80.6 p -73.73 164.7 26.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.16 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 90' ' ' TYR . 4.5 mt -78.01 -63.37 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.11 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.531 ' CD1' HG22 ' A' ' 27' ' ' ILE . 0.7 OUTLIER -38.29 -26.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.64 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 3.4 t80 -72.78 -58.63 3.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -59.52 -28.03 66.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.4 -39.09 62.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.112 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.04 -36.58 80.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.065 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.6 t -54.82 -56.93 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.167 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -51.85 -50.33 61.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.559 HD12 ' CE1' ' A' ' 28' ' ' PHE . 29.1 mt -50.87 -50.66 56.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -56.65 -37.61 71.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -72.7 -63.66 1.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -67.27 -55.44 13.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.906 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -44.55 -34.75 3.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.509 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -50.97 -42.0 46.52 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.37 -26.03 64.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.786 0.327 . . . . 0.0 111.084 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 71.0 t -77.13 -43.59 31.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.147 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.474 HD12 ' CE2' ' A' ' 72' ' ' PHE . 50.2 mt -73.1 -34.02 65.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 66.0 mtt180 -73.86 -34.64 64.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -80.52 -18.41 48.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -92.08 -29.82 16.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.081 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.487 ' HG3' ' CD2' ' A' ' 65' ' ' PHE . 14.5 ttm180 -55.53 -46.67 77.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -55.97 -33.85 65.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -65.55 -59.4 4.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -48.09 -20.01 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.089 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -92.09 -45.23 8.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.886 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.2 ptmm? -60.53 -29.43 69.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.424 ' CE ' ' HA ' ' A' ' 8' ' ' PHE . 51.1 mtt -40.77 -49.27 3.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -85.7 142.26 19.24 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.527 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 8.4 t -71.62 91.3 1.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.84 0.352 . . . . 0.0 110.878 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -142.38 -100.84 0.39 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.46 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -50.79 0.44 Allowed 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.741 2.294 . . . . 0.0 112.372 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 31.6 t -78.69 131.08 36.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.792 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 32.9 t -71.1 155.61 40.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.871 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.468 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 t -79.15 137.17 37.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.89 0.376 . . . . 0.0 110.831 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.8 m -108.88 -46.24 3.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.865 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.97 117.06 2.63 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.498 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m -90.86 46.28 1.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.835 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 9' ' ' LEU . 1.4 m -68.31 -48.28 65.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.856 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -36.09 -48.43 1.1 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.439 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -56.51 -42.13 77.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.853 0.359 . . . . 0.0 110.881 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.474 ' CD1' ' CE2' ' A' ' 60' ' ' TYR . 17.9 mt -56.74 -38.95 73.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.7 mp -66.56 -36.92 78.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.126 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 62.7 tp -58.3 -34.09 70.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.47 ' HG ' ' CG ' ' A' ' 68' ' ' PHE . 3.4 mp -76.75 -45.85 27.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.442 ' HG2' ' CD2' ' A' ' 57' ' ' LEU . 50.9 mtp180 -61.17 -40.2 92.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -75.11 -35.83 61.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.892 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.41 ' N ' ' HG3' ' A' ' 14' ' ' LYS . 22.8 m -69.16 -46.97 66.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.169 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.432 ' CD2' ' HD3' ' A' ' 54' ' ' LYS . 56.3 tp -46.76 -43.98 18.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -64.3 -57.04 10.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.971 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -41.42 -33.14 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.439 HD13 ' CD2' ' A' ' 72' ' ' PHE . 29.6 mt -75.13 -42.26 56.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -55.49 -45.93 76.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.468 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -40.91 -42.02 1.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.982 0.42 . . . . 0.0 110.922 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -56.79 -44.01 81.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -71.19 112.76 7.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.6 p -97.03 -31.71 12.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.147 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.35 -11.01 82.79 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.542 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 m120 56.24 41.3 29.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.814 0.34 . . . . 0.0 110.862 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 73.2 mt -74.57 -44.56 47.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.525 ' CE1' HD13 ' A' ' 96' ' ' LEU . 2.9 m-85 -93.58 -15.48 25.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -48.63 -20.56 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.806 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -131.86 152.06 79.63 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.603 0.716 . . . . 0.0 110.943 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 135.89 31.66 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.72 2.28 . . . . 0.0 112.369 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 77.7 t -67.2 121.74 79.76 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.69 0.757 . . . . 0.0 111.089 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 129.47 17.56 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.703 2.269 . . . . 0.0 112.261 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 69.8 mt -64.5 -29.58 70.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.0 t -49.91 -38.72 37.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -89.85 -33.32 16.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.6 t -119.75 83.82 29.78 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.639 0.733 . . . . 0.0 111.107 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -18.28 36.78 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.7 2.267 . . . . 0.0 112.276 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -110.53 25.68 11.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.84 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -57.62 -54.61 44.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.404 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 17.6 mt -71.12 -37.61 72.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -38.45 -42.09 0.71 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 32.8 m-70 -99.67 -37.05 9.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.9 mm -91.85 121.44 42.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.202 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 47.2 mmtt -79.03 -43.77 23.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.435 ' HE2' ' CD1' ' A' ' 74' ' ' LEU . 64.8 tttt -133.11 86.99 40.67 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.626 0.727 . . . . 0.0 110.945 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.404 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 53.2 Cg_endo -69.72 148.07 64.51 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.707 2.271 . . . . 0.0 112.298 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 42.7 tpp -147.48 164.1 34.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -157.2 -179.12 7.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -75.62 -26.47 57.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -91.76 -35.48 14.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.81 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.7 m -63.6 -50.7 68.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.172 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 11.0 ptm -56.63 -41.28 76.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.432 ' HD3' ' CD2' ' A' ' 16' ' ' LEU . 13.3 tptm -52.88 -49.89 64.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.932 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -51.01 -52.86 38.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -62.54 -38.57 90.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.469 HD23 ' N ' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -59.8 -42.72 94.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.469 ' N ' HD23 ' A' ' 57' ' ' LEU . 27.4 mt-10 -76.1 -10.78 59.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.93 13.65 29.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.091 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.474 ' CE2' ' CD1' ' A' ' 9' ' ' LEU . 37.1 m-85 58.15 38.53 26.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.4 mtt180 -89.83 -24.2 21.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -103.29 93.85 5.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.1 mt -92.32 -25.6 18.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -123.26 137.58 54.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -45.47 -43.97 11.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -43.88 -34.73 1.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -73.97 -60.49 2.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.47 ' CG ' ' HG ' ' A' ' 12' ' ' LEU . 66.7 t80 -52.45 -20.65 3.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.87 -40.63 12.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.837 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -56.99 -55.17 38.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.5 -51.17 49.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.439 ' CD2' HD13 ' A' ' 19' ' ' LEU . 5.4 t80 -54.07 -41.55 68.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -60.66 -37.22 80.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.435 ' CD1' ' HE2' ' A' ' 46' ' ' LYS . 30.0 mt -62.4 -45.96 90.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.9 mt -46.63 -39.75 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 61.1 t -85.78 -49.06 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 78' ' ' ASN . 7.2 t -55.27 -68.94 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 77' ' ' SER . 92.3 m-20 -35.86 -37.58 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.976 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.5 t -74.69 -47.47 31.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.608 ' CD2' ' CE1' ' A' ' 90' ' ' TYR . 88.3 mt -60.99 -26.11 67.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -88.39 -34.86 17.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -73.8 -64.73 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -94.7 -178.55 4.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.55 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -122.94 159.81 27.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.542 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 19.2 mtmt -42.58 -33.04 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -54.63 -43.32 72.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.824 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 61.4 p -70.49 173.58 6.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.186 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.516 ' O ' ' N ' ' A' ' 90' ' ' TYR . 5.7 mt -83.03 -63.48 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.45 ' N ' HG22 ' A' ' 88' ' ' ILE . 0.7 OUTLIER -38.08 -26.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.907 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.608 ' CE1' ' CD2' ' A' ' 80' ' ' LEU . 3.8 t80 -73.52 -63.47 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -52.02 -41.44 62.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.53 -38.82 88.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.1 -40.41 82.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.9 t -54.39 -46.23 69.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -62.45 -53.67 51.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.525 HD13 ' CE1' ' A' ' 28' ' ' PHE . 48.7 mt -48.85 -46.61 42.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 46.9 ttt180 -62.45 -38.24 89.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -71.6 -65.44 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -63.9 -53.06 56.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -44.47 -30.48 2.1 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.467 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -49.63 -43.49 37.22 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.465 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.86 -27.27 69.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.343 . . . . 0.0 111.12 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.409 ' HB ' ' CD2' ' A' ' 19' ' ' LEU . 62.1 t -76.13 -36.9 31.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 68.7 mt -80.41 -29.01 37.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.403 ' HA ' ' NH1' ' A' ' 108' ' ' ARG . 58.9 mtm180 -78.18 -38.22 43.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.829 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -72.06 -26.17 62.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -86.21 -42.16 14.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.403 ' NH1' ' HA ' ' A' ' 105' ' ' ARG . 7.4 ttm105 -47.94 -47.52 32.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.816 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -55.36 -34.25 64.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 112' ' ' GLU . 8.8 mt-30 -65.57 -63.87 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.937 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -41.88 -24.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.055 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 110' ' ' GLN . 19.3 mt-10 -86.97 -48.16 8.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 27.6 pttt -56.89 -28.29 61.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 6.9 mmt -46.51 -38.64 9.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -157.12 -155.97 7.7 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.46 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 92.4 p -159.97 128.53 4.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.89 0.376 . . . . 0.0 110.906 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 173.1 146.18 5.35 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.47 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 115.58 4.16 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.735 2.29 . . . . 0.0 112.307 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.2 m -105.44 127.8 53.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 16.5 m -52.45 136.99 30.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.532 -179.939 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.2 p -128.45 -44.55 1.38 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.827 0.346 . . . . 0.0 110.864 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -156.94 146.77 20.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.818 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.02 85.97 1.57 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.547 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.7 m -119.06 92.39 3.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.862 0.363 . . . . 0.0 110.85 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 9' ' ' LEU . 15.9 p -90.24 -55.65 3.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.09 -41.54 1.02 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.445 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.45 ' HA ' ' CE ' ' A' ' 114' ' ' MET . 76.7 t80 -62.25 -41.58 98.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.86 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.604 ' CD1' ' CE2' ' A' ' 60' ' ' TYR . 79.6 mt -57.11 -42.65 81.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.0 mp -63.16 -35.0 70.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 67.7 tp -62.16 -37.82 86.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.436 ' HG ' ' CG ' ' A' ' 68' ' ' PHE . 8.7 mp -69.6 -53.93 16.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -50.93 -40.97 58.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.831 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.418 ' C ' ' HD2' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -72.25 -44.07 63.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 16' ' ' LEU . 46.7 m -60.56 -56.67 18.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 15' ' ' THR . 58.4 tp -36.86 -45.96 0.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.904 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -57.91 -50.74 72.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.935 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -54.34 -19.8 6.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.413 HD11 ' CD2' ' A' ' 72' ' ' PHE . 45.8 mt -92.77 -35.68 13.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.482 ' HG2' ' CD1' ' A' ' 50' ' ' PHE . 10.8 mt-30 -69.32 -34.54 74.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -60.07 -40.63 90.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -54.03 -32.19 53.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -81.97 81.39 7.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.83 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.4 p -62.36 -32.77 73.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.18 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.07 -22.73 73.34 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.518 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 m120 62.32 38.86 12.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.875 0.369 . . . . 0.0 110.937 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 59.8 mt -74.97 -42.31 45.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.12 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.565 ' CE1' HD12 ' A' ' 96' ' ' LEU . 1.5 m-85 -90.54 -7.44 52.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.946 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -56.35 -13.62 2.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -141.6 150.68 58.16 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.632 0.73 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 141.36 45.26 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 112.377 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.4 t -71.68 124.03 90.31 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.678 0.751 . . . . 0.0 111.146 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 126.35 13.21 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.659 2.239 . . . . 0.0 112.39 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 73.1 mt -59.8 -31.78 70.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.6 t -46.77 -37.15 8.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.843 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -90.87 -34.77 15.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.0 t -118.12 86.59 26.75 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.669 0.747 . . . . 0.0 111.07 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -18.14 37.08 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.611 2.207 . . . . 0.0 112.394 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -114.71 30.61 7.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -58.68 -51.5 69.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.453 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 30.9 mt -73.76 -39.78 63.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.958 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 41' ' ' LEU . 7.4 t0 -35.09 -40.34 0.12 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -102.18 -28.99 11.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.3 mm -99.11 118.6 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.9 mmtm -77.17 -45.51 26.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.954 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 36.4 tttt -132.28 89.36 37.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.525 0.678 . . . . 0.0 110.921 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.453 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 54.2 Cg_endo -69.72 153.3 69.27 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.687 2.258 . . . . 0.0 112.372 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 38.7 tpp -151.01 162.14 41.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.821 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -153.2 177.03 11.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.482 ' CD1' ' HG2' ' A' ' 20' ' ' GLN . 5.3 m-85 -73.27 -35.79 66.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -82.62 -40.05 21.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 56.0 m -58.57 -49.76 76.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 17.2 ptm -59.18 -40.26 85.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.1 tptt -55.7 -52.63 63.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -48.22 -52.87 19.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -59.95 -40.69 89.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.436 ' CD1' ' HB3' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -58.78 -43.59 90.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.984 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.417 ' N ' HD21 ' A' ' 57' ' ' LEU . 60.6 mt-10 -73.13 -11.64 60.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.96 15.23 24.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.604 ' CE2' ' CD1' ' A' ' 9' ' ' LEU . 79.2 m-85 57.09 44.78 21.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.907 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.7 mtt85 -95.22 -32.87 12.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.818 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.449 ' CZ ' ' OD2' ' A' ' 71' ' ' ASP . 25.1 m-85 -99.13 105.19 17.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.971 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.2 mt -103.08 -25.12 13.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -118.55 137.88 52.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -45.88 -54.08 8.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -39.06 -40.11 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -66.75 -62.97 1.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.436 ' CG ' ' HG ' ' A' ' 12' ' ' LEU . 50.2 t80 -49.98 -32.34 14.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -74.29 -46.79 38.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -46.19 -45.17 16.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.449 ' OD2' ' CZ ' ' A' ' 62' ' ' TYR . 3.0 m-20 -58.18 -61.63 2.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.413 ' CD2' HD11 ' A' ' 19' ' ' LEU . 20.1 t80 -44.65 -38.0 4.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -65.87 -48.25 72.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.41 ' HB3' ' ND2' ' A' ' 78' ' ' ASN . 14.7 mt -47.66 -46.7 29.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 50.2 mt -52.81 -43.16 44.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 84.9 t -74.82 -55.69 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.188 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 78' ' ' ASN . 32.7 p -57.06 -67.74 0.29 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.88 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.453 ' C ' ' O ' ' A' ' 77' ' ' SER . 97.5 m-20 -33.97 -42.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.2 t -69.74 -50.27 45.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.955 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.602 ' CD2' ' CE1' ' A' ' 90' ' ' TYR . 19.7 mt -60.93 -23.45 65.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.942 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -86.41 -33.21 20.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -76.18 -62.68 1.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -104.67 -176.63 3.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.61 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -119.29 -175.26 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.102 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.5 ' HD3' ' CE1' ' A' ' 90' ' ' TYR . 21.3 mmtp -58.02 -31.15 66.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -52.75 -55.41 22.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.895 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 77.3 p -56.89 171.38 0.35 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.168 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 90' ' ' TYR . 6.2 mt -85.83 -63.71 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.193 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.457 ' N ' HG22 ' A' ' 88' ' ' ILE . 0.9 OUTLIER -38.4 -26.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.915 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.61 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 4.1 t80 -72.31 -53.34 12.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 9.7 mtt-85 -59.07 -39.47 82.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.17 -42.58 93.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.157 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.1 -41.11 97.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.091 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.7 t -55.71 -44.79 78.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -65.85 -52.88 46.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.782 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.565 HD12 ' CE1' ' A' ' 28' ' ' PHE . 24.9 mt -47.04 -42.21 18.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.821 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -67.5 -39.41 85.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -67.57 -61.61 1.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -69.53 -52.34 27.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.978 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -46.77 -28.21 3.62 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -53.74 -48.77 60.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.42 -29.15 65.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.782 0.325 . . . . 0.0 111.069 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.9 t -70.32 -41.23 78.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 88.2 mt -73.1 -46.26 52.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.453 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 3.4 mpt_? -59.17 -44.17 92.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -69.32 -21.85 63.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -91.31 -29.0 17.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.072 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 -58.06 -50.79 72.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -54.43 -33.39 59.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -69.75 -49.84 49.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.962 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.91 -16.87 46.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.017 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -98.09 -42.98 7.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 20.3 pttt -60.66 -20.65 61.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.45 ' CE ' ' HA ' ' A' ' 8' ' ' PHE . 6.0 mtt -43.45 -40.82 3.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.917 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -136.32 60.88 0.62 Allowed Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.404 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 96.0 p -93.21 107.34 19.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.975 0.417 . . . . 0.0 110.862 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -143.02 -85.9 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 1.71 4.15 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.679 2.253 . . . . 0.0 112.368 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 18.4 m -51.51 -60.73 2.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.783 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 24.8 p -134.72 162.19 33.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.845 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.471 -179.953 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 m -112.62 -47.05 3.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.895 0.379 . . . . 0.0 110.86 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.1 m -82.54 121.21 26.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.82 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.69 129.62 1.57 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.419 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 t -85.61 75.32 10.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.911 0.386 . . . . 0.0 110.83 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 9' ' ' LEU . 4.5 m -78.51 -51.49 9.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.852 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.86 -48.42 2.5 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.436 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -57.59 -39.05 75.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.884 0.373 . . . . 0.0 110.942 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.475 ' CD1' ' CE2' ' A' ' 60' ' ' TYR . 17.4 mt -59.63 -49.35 78.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.5 mp -51.99 -56.41 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.103 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.9 tp -44.16 -52.59 7.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 55.6 mt -54.42 -49.5 69.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 83.1 mtt180 -56.41 -50.11 72.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.82 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.423 ' C ' ' HD2' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -59.69 -42.59 93.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.406 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 98.5 m -63.84 -52.82 58.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.164 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.2 tp -46.05 -38.12 7.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -68.95 -50.66 47.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.445 HE22 ' NE2' ' A' ' 106' ' ' GLN . 23.1 mt-30 -47.99 -46.73 33.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.942 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.9 mt -57.14 -49.06 77.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 23' ' ' ASP . 12.3 mt-30 -44.17 -51.96 7.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 20' ' ' GLN . 5.9 mm-40 -37.95 -46.07 0.94 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.469 ' HB2' ' CD2' ' A' ' 96' ' ' LEU . 27.9 mmtm -54.14 -44.6 71.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 20' ' ' GLN . 35.5 t0 -72.82 91.69 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 78.1 p -79.17 -20.86 47.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.37 -14.37 57.28 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.462 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 58.01 29.06 17.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 0.0 110.832 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.447 HG21 ' CD1' ' A' ' 89' ' ' PHE . 78.4 mt -66.62 -38.26 81.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.565 ' CE1' HD12 ' A' ' 96' ' ' LEU . 0.3 OUTLIER -96.05 -8.83 32.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 t -59.97 -12.72 8.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.838 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -137.99 151.84 70.89 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.623 0.725 . . . . 0.0 110.953 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 137.05 34.39 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.685 2.257 . . . . 0.0 112.359 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.6 t -67.58 124.45 89.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.584 0.707 . . . . 0.0 111.187 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 135.08 29.6 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.668 2.246 . . . . 0.0 112.354 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 58.3 mt -73.5 -28.01 61.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.838 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.7 p -48.22 -40.05 23.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -90.85 -24.81 20.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.4 t -124.12 87.24 53.6 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.594 0.711 . . . . 0.0 111.156 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -19.89 35.53 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.672 2.248 . . . . 0.0 112.336 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -115.49 32.49 6.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -58.51 -57.45 12.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.465 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 17.3 mt -67.05 -36.0 81.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.934 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -43.14 -37.6 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.403 ' HB2' ' CD1' ' A' ' 82' ' ' TYR . 35.7 m-70 -99.94 -36.36 9.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.431 ' CD1' ' HD3' ' A' ' 81' ' ' LYS . 10.8 mm -102.83 107.0 21.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -67.0 -43.14 83.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -122.49 87.19 48.97 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.58 0.705 . . . . 0.0 110.912 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.465 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 53.7 Cg_endo -69.78 113.79 3.49 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.625 2.217 . . . . 0.0 112.354 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.418 ' C ' ' CG ' ' A' ' 49' ' ' ASP . 37.6 tpp -111.79 156.5 21.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.418 ' CG ' ' C ' ' A' ' 48' ' ' MET . 0.8 OUTLIER -162.65 163.32 27.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.806 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -58.56 -34.67 71.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -81.74 -39.47 24.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 75.3 m -64.68 -50.54 66.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 19.5 ptm -58.74 -36.44 74.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.65 -52.34 66.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.942 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 -50.23 -50.33 50.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -61.14 -41.34 96.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 tt -59.4 -44.12 92.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -70.54 -23.17 62.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.37 11.86 13.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.083 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.475 ' CE2' ' CD1' ' A' ' 9' ' ' LEU . 9.0 m-85 58.29 43.59 19.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.5 mtt-85 -92.01 -25.79 18.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.519 ' CZ ' ' OD2' ' A' ' 71' ' ' ASP . 26.3 m-85 -103.16 104.92 15.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.4 mt -102.47 -26.56 13.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -114.77 139.01 50.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -49.21 -45.74 44.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -51.69 -37.38 50.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -68.39 -42.28 79.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.838 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -67.47 -35.52 79.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -69.73 -49.91 48.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -42.14 -55.66 3.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.519 ' OD2' ' CZ ' ' A' ' 62' ' ' TYR . 13.2 m-20 -43.86 -57.95 3.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -48.35 -56.43 8.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -44.38 -56.5 4.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 78' ' ' ASN . 12.8 mt -41.16 -54.75 2.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 87.8 mt -45.81 -54.39 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 46.5 t -61.87 -54.34 35.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.154 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 80' ' ' LEU . 33.7 p -60.52 -70.18 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 74' ' ' LEU . 84.9 m-20 -38.21 -31.21 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.418 ' N ' ' O ' ' A' ' 77' ' ' SER . 30.0 t -80.09 -41.42 25.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 77' ' ' SER . 70.8 mt -74.84 -18.83 60.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.431 ' HD3' ' CD1' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -89.84 -40.69 12.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.86 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.403 ' CD1' ' HB2' ' A' ' 43' ' ' HIS . 21.1 t80 -72.85 -48.52 36.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.94 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -100.57 174.27 6.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -117.45 160.23 21.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.112 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.52 ' HA ' ' CG ' ' A' ' 90' ' ' TYR . 8.4 mtmm -45.42 -38.06 5.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.44 -40.44 36.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 49.2 p -71.11 175.14 5.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.171 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.511 ' O ' ' N ' ' A' ' 90' ' ' TYR . 3.3 mt -88.94 -61.23 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.46 ' N ' HG21 ' A' ' 88' ' ' ILE . 0.7 OUTLIER -38.24 -26.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.52 ' CG ' ' HA ' ' A' ' 85' ' ' LYS . 4.7 t80 -68.45 -51.41 43.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.94 -47.84 73.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.924 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -51.37 -39.83 57.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.22 -40.69 86.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.3 t -54.32 -49.91 60.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.148 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -58.69 -47.56 84.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.565 HD12 ' CE1' ' A' ' 28' ' ' PHE . 47.7 mt -53.3 -47.65 69.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.958 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -62.3 -35.98 80.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.787 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -71.08 -66.25 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.453 ' CB ' ' HD2' ' A' ' 22' ' ' LYS . 49.5 mt-30 -63.34 -52.76 60.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -42.72 -38.45 3.14 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.555 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -44.86 -35.93 4.65 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.504 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.92 -35.65 67.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 0.0 111.084 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.3 t -69.39 -34.8 64.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.146 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 79.9 mt -81.26 -20.79 40.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.7 mtp180 -89.04 -35.14 16.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.445 ' NE2' HE22 ' A' ' 18' ' ' GLN . 0.0 OUTLIER -72.37 -29.19 63.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -87.56 -37.36 16.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 33.3 ttp85 -49.69 -51.91 34.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -48.54 -35.83 14.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.404 ' O ' ' N ' ' A' ' 112' ' ' GLU . 10.1 mt-30 -66.03 -58.64 5.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -42.35 -25.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 110' ' ' GLN . 29.7 mt-10 -91.38 -45.22 8.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 114' ' ' MET . 3.0 ptmm? -57.65 -28.4 63.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.803 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.422 ' C ' ' O ' ' A' ' 113' ' ' LYS . 14.1 mmt -36.66 -33.55 0.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 113' ' ' LYS . . . -136.97 -63.31 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.476 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 8.5 t -47.34 -57.69 4.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.866 0.365 . . . . 0.0 110.836 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 73.77 143.38 0.7 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.87 99.24 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.637 2.225 . . . . 0.0 112.285 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.6 m 47.17 39.96 9.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.825 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.4 t -132.04 157.81 43.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.488 -179.971 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m -91.09 103.41 16.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.874 0.368 . . . . 0.0 110.82 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 m -78.57 146.44 34.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.794 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.95 -139.18 6.29 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.495 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 m 54.89 44.94 27.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 110.873 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 9' ' ' LEU . 10.1 p -50.16 -50.3 49.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.32 -49.51 2.91 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.441 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.479 ' CE2' ' O ' ' A' ' 63' ' ' LEU . 43.6 t80 -56.51 -35.87 68.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 110.857 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.463 HD13 ' CZ ' ' A' ' 60' ' ' TYR . 28.0 mt -63.73 -54.22 38.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.9 mp -49.68 -54.21 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 19.8 tp -46.21 -31.82 2.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.446 ' HB3' ' CD1' ' A' ' 57' ' ' LEU . 83.4 mt -79.7 -49.23 12.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -60.03 -31.98 70.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -83.36 -35.51 25.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.431 ' N ' ' HG3' ' A' ' 14' ' ' LYS . 8.4 m -70.44 -42.57 71.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.152 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.458 ' CD2' ' HD3' ' A' ' 54' ' ' LYS . 22.2 tp -56.5 -32.71 65.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -73.09 -40.5 64.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -58.92 -33.22 70.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.9 mt -66.95 -53.01 35.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.496 ' HG2' ' CD1' ' A' ' 50' ' ' PHE . 9.3 mt-30 -48.83 -43.44 38.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -40.97 -37.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.422 ' NZ ' ' OE1' ' A' ' 99' ' ' GLN . 36.9 mmtt -67.43 -38.4 84.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 20' ' ' GLN . 23.2 t0 -69.91 83.14 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 67.6 p -75.07 -3.48 32.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.421 ' C ' ' CG ' ' A' ' 26' ' ' ASN . . . -107.46 -5.73 34.03 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.421 ' CG ' ' C ' ' A' ' 25' ' ' GLY . 0.7 OUTLIER 46.21 32.23 1.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.826 0.346 . . . . 0.0 110.889 -179.822 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 79.4 mt -72.26 -41.5 66.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.493 ' CE1' HD13 ' A' ' 96' ' ' LEU . 4.0 m-85 -90.4 -24.75 20.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -41.18 -24.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 28' ' ' PHE . 15.9 mt-10 -127.75 152.28 76.74 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.633 0.73 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 133.46 25.68 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.706 2.271 . . . . 0.0 112.334 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.1 t -58.04 121.46 50.97 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.659 0.742 . . . . 0.0 111.087 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 138.66 38.25 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.644 2.229 . . . . 0.0 112.366 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.9 mt -72.26 -26.48 62.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.9 m -51.37 -45.28 62.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -86.6 -29.61 22.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.6 t -122.02 84.8 45.4 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.599 0.714 . . . . 0.0 111.173 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -18.44 37.19 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.683 2.255 . . . . 0.0 112.328 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -114.24 29.71 7.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.841 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -56.67 -56.36 22.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 43' ' ' HIS . 11.2 mt -70.2 -39.17 75.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.403 ' OD1' ' CD2' ' A' ' 43' ' ' HIS . 1.2 t70 -38.63 -27.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 41' ' ' LEU . 42.7 m-70 -114.31 -37.17 4.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.0 mm -94.08 120.5 43.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.157 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.4 -48.54 16.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -123.84 86.47 53.33 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.567 0.699 . . . . 0.0 110.945 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.444 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 53.7 Cg_endo -69.76 118.19 5.53 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.7 2.267 . . . . 0.0 112.339 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 32.9 tpp -116.6 162.87 16.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -159.46 177.44 10.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.496 ' CD1' ' HG2' ' A' ' 20' ' ' GLN . 11.2 m-85 -66.26 -47.77 72.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.462 ' CE1' ' NE2' ' A' ' 55' ' ' GLN . 16.0 t80 -71.61 -41.87 68.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 94.7 m -60.55 -51.06 71.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.112 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.561 ' CE ' ' CE1' ' A' ' 68' ' ' PHE . 2.8 ppp? -58.62 -36.74 74.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.464 ' N ' ' HG3' ' A' ' 53' ' ' MET . 19.0 tptt -60.69 -53.68 54.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.853 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.462 ' NE2' ' CE1' ' A' ' 51' ' ' PHE . 32.6 mm-40 -47.74 -53.66 14.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -58.62 -38.79 78.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.467 HD23 ' N ' ' A' ' 58' ' ' GLU . 7.2 tt -60.35 -59.39 5.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.467 ' N ' HD23 ' A' ' 57' ' ' LEU . 6.3 pt-20 -59.05 -20.57 54.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.65 6.7 16.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.463 ' CZ ' HD13 ' A' ' 9' ' ' LEU . 36.2 m-85 61.75 43.56 9.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.953 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.8 mtt-85 -97.37 -22.93 16.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -106.99 98.8 8.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.479 ' O ' ' CE2' ' A' ' 8' ' ' PHE . 7.4 mt -94.49 -28.97 15.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -113.5 138.15 50.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -47.55 -52.17 18.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -40.3 -36.82 0.57 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -69.95 -63.75 1.02 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.561 ' CE1' ' CE ' ' A' ' 53' ' ' MET . 53.7 t80 -47.9 -34.51 9.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -78.1 -25.0 47.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -66.2 -55.57 15.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 72' ' ' PHE . 0.3 OUTLIER -53.79 -48.59 69.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.482 ' N ' ' OD1' ' A' ' 71' ' ' ASP . 8.9 t80 -53.68 -43.72 69.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -53.72 -52.03 61.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 50.0 mt -45.73 -55.32 6.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 78.8 mt -39.74 -31.58 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.431 HG13 ' CD1' ' A' ' 80' ' ' LEU . 91.2 t -93.23 -46.47 13.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 80' ' ' LEU . 1.0 OUTLIER -62.39 -65.75 0.64 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.869 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -39.59 -47.15 1.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 44.2 t -68.37 -31.89 71.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 77' ' ' SER . 65.8 mt -83.2 -14.03 54.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.1 pttt -102.22 -14.16 17.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -90.15 -44.5 9.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.434 ' HB2' ' CG2' ' A' ' 87' ' ' THR . 12.2 p30 -125.56 -179.39 4.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.597 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -116.08 -178.3 3.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.067 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.38 -37.33 36.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.981 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -44.87 -53.28 7.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.434 ' CG2' ' HB2' ' A' ' 83' ' ' ASN . 72.8 p -62.79 167.99 4.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.502 ' O ' ' N ' ' A' ' 90' ' ' TYR . 3.5 mt -83.43 -61.89 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.471 ' N ' HG23 ' A' ' 88' ' ' ILE . 1.3 m-85 -38.37 -26.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.597 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 2.8 t80 -70.75 -56.8 5.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 29.6 mtt180 -61.07 -42.66 98.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.95 -40.63 98.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.059 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.87 95.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.141 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.5 t -54.53 -37.51 38.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -65.91 -54.78 22.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.833 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.493 HD13 ' CE1' ' A' ' 28' ' ' PHE . 28.0 mt -47.98 -48.2 32.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 39.2 ttt180 -60.51 -41.72 94.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -66.95 -62.72 1.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.422 ' OE1' ' NZ ' ' A' ' 22' ' ' LYS . 42.3 mt-30 -67.28 -53.91 25.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -39.56 -44.79 2.51 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.485 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -41.57 -48.26 4.84 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.519 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.93 -36.22 65.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.833 0.349 . . . . 0.0 111.064 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 97.9 t -73.92 -44.12 51.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 88.7 mt -75.97 -18.42 59.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 20.9 mtt-85 -88.32 -31.35 18.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.463 ' HA ' ' NE ' ' A' ' 109' ' ' ARG . 11.1 pt20 -84.6 -22.75 29.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -92.07 -24.86 19.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -58.71 -42.79 89.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.463 ' NE ' ' HA ' ' A' ' 106' ' ' GLN . 13.4 ptp180 -61.17 -33.13 72.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -66.86 -54.08 25.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.64 -15.97 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.071 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -100.5 -44.11 5.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.874 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.3 pttp -57.37 -19.95 26.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 3.3 mtt -51.46 -61.49 2.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -148.94 98.45 0.19 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.508 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 24.0 m -101.78 79.72 1.95 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.943 0.401 . . . . 0.0 110.874 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -92.11 -172.66 41.98 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 110.01 2.46 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.601 2.201 . . . . 0.0 112.324 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.0 m -98.34 161.16 13.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 29.1 t -95.69 -48.78 5.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.486 180.0 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.392 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.4 p -64.78 126.52 28.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.911 0.386 . . . . 0.0 110.838 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 m -70.01 -54.99 10.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.815 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.58 -54.52 0.73 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -88.73 43.9 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.943 0.401 . . . . 0.0 110.876 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -63.81 -45.3 90.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -40.12 -53.95 3.2 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.494 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.468 ' CZ ' HD11 ' A' ' 12' ' ' LEU . 21.5 t80 -50.91 -42.61 59.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.947 0.403 . . . . 0.0 110.905 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.54 ' CD1' ' CE2' ' A' ' 60' ' ' TYR . 15.2 mt -55.15 -52.04 64.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.9 mp -56.09 -53.55 37.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 19.9 tp -45.99 -30.76 1.93 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.468 HD11 ' CZ ' ' A' ' 8' ' ' PHE . 30.6 mt -81.35 -49.45 10.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 -58.2 -35.57 71.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.9 -36.31 56.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.8 m -71.66 -38.41 70.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.447 ' CD2' ' HD3' ' A' ' 54' ' ' LYS . 25.8 tp -57.05 -35.67 69.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.974 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -74.04 -42.75 59.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -51.09 -42.81 60.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.926 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.3 mt -60.21 -46.43 89.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.928 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' A' ' 23' ' ' ASP . 10.0 mt-30 -47.82 -43.57 28.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -42.82 -42.69 3.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.1 mmtt -60.33 -35.9 76.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 20' ' ' GLN . 13.7 t70 -85.17 91.38 8.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 79.4 p -74.13 -31.6 62.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.101 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.46 -14.48 82.11 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.491 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 54.11 38.85 29.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.422 HG22 ' CD1' ' A' ' 89' ' ' PHE . 72.9 mt -70.81 -41.21 77.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.564 ' CE1' HD12 ' A' ' 96' ' ' LEU . 1.4 m-85 -92.72 -6.69 48.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -56.57 -13.18 2.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -141.58 152.34 62.99 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.638 0.733 . . . . 0.0 110.87 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 150.46 68.2 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.72 2.28 . . . . 0.0 112.311 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 65.9 t -79.35 124.89 83.98 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.659 0.742 . . . . 0.0 111.091 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 140.22 42.3 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.632 2.222 . . . . 0.0 112.393 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.4 mt -78.54 -29.12 46.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 92.8 p -51.79 -35.72 44.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -92.46 -29.09 16.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.836 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.3 t -122.58 86.83 49.21 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.599 0.714 . . . . 0.0 111.135 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -18.93 36.9 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.65 2.233 . . . . 0.0 112.342 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -115.44 31.96 6.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -59.56 -57.95 10.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.977 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.458 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 13.2 mt -68.66 -32.39 72.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 41' ' ' LEU . 12.2 t0 -37.23 -34.83 0.09 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.802 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -111.31 -32.8 6.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 11.4 mm -90.92 127.41 43.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.442 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 3.7 mptt -86.41 -41.74 14.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.46 ' HE2' ' CD1' ' A' ' 74' ' ' LEU . 44.4 tttt -132.94 87.96 38.63 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.62 0.724 . . . . 0.0 110.911 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.458 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 54.5 Cg_endo -69.73 107.08 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.726 2.284 . . . . 0.0 112.362 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 42.1 tpp -108.53 156.57 19.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -153.68 168.67 25.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -59.56 -36.28 75.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -81.89 -50.62 8.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.1 m -50.79 -54.85 20.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.099 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 27.5 ptm -53.53 -41.88 66.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.807 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.447 ' HD3' ' CD2' ' A' ' 16' ' ' LEU . 21.3 tptm -58.2 -48.94 78.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -49.49 -45.43 46.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -67.08 -33.29 75.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.836 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.457 HD22 ' N ' ' A' ' 58' ' ' GLU . 6.5 tt -64.36 -52.25 59.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.457 ' N ' HD22 ' A' ' 57' ' ' LEU . 5.1 pt-20 -64.16 -21.33 66.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.422 ' CB ' ' NH1' ' A' ' 61' ' ' ARG . . . -85.63 10.04 14.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.54 ' CE2' ' CD1' ' A' ' 9' ' ' LEU . 57.1 m-85 59.29 45.41 14.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.422 ' NH1' ' CB ' ' A' ' 59' ' ' ALA . 29.1 mtt85 -96.6 -28.21 14.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -103.05 99.39 9.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.458 ' O ' ' CE2' ' A' ' 8' ' ' PHE . 8.3 mt -95.24 -26.65 15.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.943 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -120.69 137.08 54.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 67' ' ' ASP . 8.5 t80 -44.36 -56.5 4.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 65' ' ' PHE . 3.4 m-20 -34.86 -33.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.871 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 65' ' ' PHE . 10.2 t0 -77.44 -56.68 4.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -53.88 -20.44 5.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -90.9 -30.9 16.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -60.14 -50.39 73.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.471 ' CG ' ' N ' ' A' ' 72' ' ' PHE . 0.3 OUTLIER -56.35 -51.35 68.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.471 ' N ' ' CG ' ' A' ' 71' ' ' ASP . 3.1 t80 -50.95 -47.37 61.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -50.09 -48.31 53.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.46 ' CD1' ' HE2' ' A' ' 46' ' ' LYS . 80.6 mt -55.17 -55.37 32.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 74' ' ' LEU . 88.7 mt -37.47 -30.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.07 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 74' ' ' LEU . 98.6 t -94.72 -39.68 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 78' ' ' ASN . 1.4 t -63.28 -67.74 0.4 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.43 ' CG ' ' O ' ' A' ' 74' ' ' LEU . 0.8 OUTLIER -36.67 -44.18 0.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.929 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 11.2 t -66.11 -48.09 72.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.949 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.444 HD23 ' CZ ' ' A' ' 90' ' ' TYR . 82.5 mt -61.4 -23.07 65.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.1 ttmt -85.68 -52.43 5.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.947 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -71.11 -61.57 1.72 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -68.28 -175.83 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.599 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -139.26 160.84 38.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.463 ' HG3' ' CZ ' ' A' ' 90' ' ' TYR . 14.1 mtmm -57.52 -17.72 15.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -76.76 -28.52 55.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.964 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 13.8 p -85.53 175.05 9.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 90' ' ' TYR . 1.7 mt -84.51 -61.96 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.172 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.446 ' N ' HG21 ' A' ' 88' ' ' ILE . 1.5 m-85 -39.25 -25.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.599 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 3.7 t80 -74.63 -57.13 4.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -62.9 -34.33 77.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.8 -37.52 86.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.48 -38.19 80.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.105 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.0 t -57.77 -43.61 84.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -61.78 -55.49 29.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.817 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.564 HD12 ' CE1' ' A' ' 28' ' ' PHE . 76.1 mt -47.38 -47.07 26.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 47.7 ttt85 -59.76 -41.34 90.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -74.4 -66.34 0.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -61.59 -53.93 49.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -46.85 -30.04 4.71 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.5 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -52.19 -36.28 44.21 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.41 -35.45 80.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.787 0.327 . . . . 0.0 111.075 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.2 t -68.49 -45.61 81.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 26.5 mt -70.77 -27.35 63.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 29.8 mtt85 -76.21 -43.11 43.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.818 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -69.21 -28.87 66.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -85.11 -28.45 25.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 40.6 ttt-85 -54.36 -55.64 26.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.48 -32.67 28.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -68.83 -57.81 5.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -51.97 -19.13 1.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -95.73 -45.7 6.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 28.6 pttt -54.93 -18.98 5.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 10.1 mmt -49.57 -49.93 44.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.852 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -179.08 -178.13 48.06 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.483 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.3 t -93.48 89.5 6.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.969 0.414 . . . . 0.0 110.895 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -85.88 -95.12 0.8 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.457 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.65 144.35 54.35 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 8.8 t -98.04 129.95 44.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 23.5 t -71.74 116.47 12.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.525 179.938 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.2 p -63.14 138.13 58.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 0.0 110.884 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.2 p -99.01 167.81 10.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.86 106.29 2.98 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.496 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -118.75 81.64 1.73 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.884 0.373 . . . . 0.0 110.87 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 9' ' ' LEU . 5.1 p -87.39 -53.69 4.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.42 -43.51 1.53 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.452 ' CE2' ' O ' ' A' ' 63' ' ' LEU . 38.4 t80 -58.09 -40.93 82.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.896 0.379 . . . . 0.0 110.906 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.543 HD11 ' CE2' ' A' ' 60' ' ' TYR . 47.0 mt -61.03 -35.51 77.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mp -67.99 -47.82 77.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.434 ' CD2' ' HB3' ' A' ' 111' ' ' ALA . 19.7 tp -50.99 -42.24 60.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.7 mt -66.17 -54.5 24.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -50.19 -37.05 33.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.422 ' C ' ' HD2' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -75.78 -36.85 59.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 179.895 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 16' ' ' LEU . 93.1 m -68.31 -59.11 3.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.46 ' CD2' ' HG2' ' A' ' 54' ' ' LYS . 25.1 tp -37.37 -36.51 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.918 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -67.07 -56.13 11.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.843 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.413 ' NE2' ' HD3' ' A' ' 14' ' ' LYS . 73.6 mt-30 -44.63 -43.77 8.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.9 mt -63.44 -44.81 93.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -52.15 -41.79 62.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -44.26 -45.11 8.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.425 ' HB2' ' CD2' ' A' ' 96' ' ' LEU . 48.9 mmtt -55.28 -34.73 64.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -76.98 119.1 20.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.5 p -116.9 -29.6 5.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.079 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.25 0.33 88.97 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 51.72 37.51 20.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.795 0.331 . . . . 0.0 110.863 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 81.3 mt -81.26 -42.91 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.557 ' CE2' HD13 ' A' ' 96' ' ' LEU . 1.4 m-85 -96.48 -14.22 22.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -58.11 -13.9 5.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -141.27 152.07 63.24 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.606 0.717 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 157.3 61.0 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.696 2.264 . . . . 0.0 112.361 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.6 t -83.62 125.06 74.56 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.697 0.76 . . . . 0.0 111.162 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 128.13 15.57 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.684 2.256 . . . . 0.0 112.363 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.1 mt -69.11 -37.36 78.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.957 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 79.2 p -48.55 -36.21 14.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -90.6 -29.9 17.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.958 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.5 t -126.67 85.34 60.78 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.718 0.77 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -18.92 36.53 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.669 2.246 . . . . 0.0 112.362 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.465 ' OD2' ' CD2' ' A' ' 43' ' ' HIS . 8.1 t70 -104.86 21.03 17.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -58.0 -64.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.439 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 17.8 mt -60.91 -40.33 92.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.443 ' CG ' ' OD1' ' A' ' 39' ' ' ASP . 0.6 OUTLIER -39.72 -33.14 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.85 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.465 ' CD2' ' OD2' ' A' ' 39' ' ' ASP . 61.7 m-70 -107.17 -36.51 6.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 29.3 mm -98.07 108.92 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -68.17 -46.96 69.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.795 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 42.9 tttp -123.37 87.03 51.89 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.558 0.694 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.439 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 54.0 Cg_endo -69.72 108.3 2.04 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.743 2.296 . . . . 0.0 112.283 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 32.8 tpp -112.38 154.23 26.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -152.1 176.58 11.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.432 ' CD2' ' HB2' ' A' ' 28' ' ' PHE . 6.9 m-85 -67.32 -39.19 85.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -81.9 -33.45 30.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 22.9 m -68.03 -51.96 40.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.401 ' HG3' ' N ' ' A' ' 54' ' ' LYS . 2.5 ppp? -60.96 -30.55 70.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.85 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.46 ' HG2' ' CD2' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -63.77 -50.19 70.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.1 mm-40 -49.96 -48.5 52.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.963 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -61.51 -44.37 97.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 tt -56.89 -44.44 82.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -67.36 -22.46 65.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.45 24.0 4.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.06 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.543 ' CE2' HD11 ' A' ' 9' ' ' LEU . 3.2 m-85 48.32 41.4 16.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.934 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 30.9 mtt-85 -86.4 -24.29 25.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.4 ' CE1' ' OD2' ' A' ' 71' ' ' ASP . 23.5 m-85 -108.2 113.35 26.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.452 ' O ' ' CE2' ' A' ' 8' ' ' PHE . 5.3 mt -110.82 -22.68 11.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -117.45 131.44 56.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -44.63 -45.16 9.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -49.15 -38.73 26.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -71.82 -57.76 4.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.83 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -49.83 -37.67 31.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -72.51 -50.14 27.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -42.04 -50.94 4.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.834 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.4 ' OD2' ' CE1' ' A' ' 62' ' ' TYR . 7.4 m-20 -50.68 -54.53 22.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.815 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -51.38 -55.72 17.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -44.68 -57.33 3.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.4 mt -41.98 -55.47 3.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 95.3 mt -41.15 -38.19 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.098 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 50.7 t -81.0 -49.04 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.416 ' OG ' ' N ' ' A' ' 78' ' ' ASN . 51.8 p -59.67 -64.53 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.416 ' N ' ' OG ' ' A' ' 77' ' ' SER . 62.9 m-20 -38.63 -42.64 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.847 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 11.6 t -66.21 -47.57 73.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.815 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.564 ' HA ' ' CD2' ' A' ' 90' ' ' TYR . 8.1 mt -65.58 -22.9 66.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -80.23 -33.77 37.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -79.93 -66.22 0.9 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -97.02 -178.49 4.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.446 ' HA ' ' CD2' ' A' ' 90' ' ' TYR . . . -128.61 171.49 12.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.031 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.583 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -52.19 -17.79 1.24 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.91 -5.45 21.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 57.8 p -119.42 -177.34 3.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.51 ' O ' ' N ' ' A' ' 90' ' ' TYR . 7.0 mt -88.68 -64.83 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.477 ' N ' HG23 ' A' ' 88' ' ' ILE . 0.9 OUTLIER -38.06 -26.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.583 ' CD1' ' HA ' ' A' ' 85' ' ' LYS . 19.5 t80 -81.57 -49.2 10.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.855 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 88' ' ' ILE . 57.0 mtp180 -64.84 -35.02 79.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.76 -34.4 77.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.96 -37.24 69.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.055 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 24.5 t -56.82 -36.74 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 37.0 ttt180 -70.67 -43.26 69.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.557 HD13 ' CE2' ' A' ' 28' ' ' PHE . 96.3 mt -57.21 -53.99 51.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 -57.83 -42.21 83.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -65.5 -65.55 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.431 ' O ' ' C ' ' A' ' 100' ' ' GLY . 42.4 mt-30 -63.68 -57.73 9.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 103' ' ' VAL . . . -34.95 -46.11 0.61 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 100' ' ' GLY . . . -36.79 -45.64 1.07 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.539 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.08 -39.45 86.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.79 0.329 . . . . 0.0 111.059 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 100' ' ' GLY . 94.6 t -69.17 -46.25 78.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 79.3 mt -70.03 -25.19 63.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 34.5 mtt85 -82.16 -36.37 27.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.842 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -77.32 -13.92 59.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -96.99 -34.49 11.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.048 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -54.6 -41.81 70.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.833 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -64.63 -32.36 73.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -69.35 -51.88 32.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.434 ' HB3' ' CD2' ' A' ' 11' ' ' LEU . . . -56.63 -19.42 16.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -95.49 -47.23 6.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.1 ptmm? -55.12 -21.31 12.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 8.7 mtt -47.05 -56.3 6.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.926 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -93.61 132.23 11.12 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.514 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 99.2 p -47.86 -42.07 25.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.937 0.398 . . . . 0.0 110.875 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 85.96 154.44 23.95 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.53 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.74 92.13 0.51 Allowed 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 122.698 2.266 . . . . 0.0 112.308 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.3 t 63.21 36.28 12.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.0 m 52.86 31.79 11.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.464 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.7 m -54.33 119.83 5.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.921 0.391 . . . . 0.0 110.835 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m 56.1 43.56 26.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.836 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.31 139.75 43.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.512 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -121.45 42.21 3.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.348 . . . . 0.0 110.88 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 m -52.19 -45.28 65.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.784 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.0 -54.9 2.39 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.422 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.507 ' CZ ' HD12 ' A' ' 12' ' ' LEU . 39.5 t80 -49.33 -38.85 29.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.936 0.398 . . . . 0.0 110.894 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.543 ' CD1' ' CE2' ' A' ' 60' ' ' TYR . 22.7 mt -60.23 -47.5 85.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.937 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.3 mp -61.26 -43.23 96.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.4 tp -54.8 -42.32 71.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.959 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.507 HD12 ' CZ ' ' A' ' 8' ' ' PHE . 75.5 mt -65.04 -56.56 12.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -47.76 -41.47 23.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.847 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -72.65 -49.43 31.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.955 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.465 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 16.7 m -53.3 -50.61 64.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.436 ' CD2' ' HD3' ' A' ' 54' ' ' LYS . 9.5 tp -47.71 -43.04 26.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -58.66 -45.89 88.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -53.67 -33.24 54.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 38.6 mt -66.67 -46.35 75.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 23' ' ' ASP . 7.3 mt-30 -51.56 -51.49 55.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.965 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' GLN . 19.2 mm-40 -37.56 -47.64 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.408 ' HB2' ' CD2' ' A' ' 96' ' ' LEU . 68.6 mmtt -54.45 -41.81 69.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 20' ' ' GLN . 19.2 t0 -78.75 83.17 4.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.0 p -66.11 -33.78 76.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.196 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.18 -16.29 80.76 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.514 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.7 m120 57.25 38.31 28.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.807 0.337 . . . . 0.0 110.893 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.451 HG22 ' CD1' ' A' ' 89' ' ' PHE . 74.8 mt -71.39 -38.38 68.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.086 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.552 ' CE1' HD13 ' A' ' 96' ' ' LEU . 4.1 m-85 -92.9 -12.78 30.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -51.92 -17.06 0.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.798 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -138.06 152.05 71.16 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.602 0.715 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 134.69 28.41 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.679 2.253 . . . . 0.0 112.296 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.7 t -57.99 126.17 76.27 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.543 0.687 . . . . 0.0 111.151 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 141.85 46.29 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.615 2.21 . . . . 0.0 112.36 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 73.1 mt -80.76 -26.79 37.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.3 t -47.16 -45.65 22.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -90.58 -26.61 19.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.8 t -118.24 84.15 21.87 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.57 0.7 . . . . 0.0 111.101 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -19.58 35.92 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.673 2.249 . . . . 0.0 112.374 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -111.89 27.11 9.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -54.48 -58.58 6.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.468 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 27.0 mt -66.15 -41.66 90.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.969 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -38.66 -38.84 0.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.417 ' O ' ' NZ ' ' A' ' 81' ' ' LYS . 57.2 m-70 -102.34 -31.13 10.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.4 mm -102.1 104.65 16.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -66.45 -43.6 85.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.427 ' CE ' ' CD1' ' A' ' 74' ' ' LEU . 28.8 tttp -126.81 86.94 57.64 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.519 0.676 . . . . 0.0 110.882 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.468 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 53.8 Cg_endo -69.75 103.98 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.321 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 43.4 tpp -107.97 150.33 27.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.459 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -145.72 -176.11 5.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.901 179.9 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -74.24 -32.26 62.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -85.58 -39.68 17.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.6 m -60.84 -47.75 84.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.094 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.404 ' CE ' HD12 ' A' ' 16' ' ' LEU . 21.8 ptm -58.53 -43.23 89.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.915 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.436 ' HD3' ' CD2' ' A' ' 16' ' ' LEU . 28.7 tptt -54.87 -53.04 60.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.915 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -46.88 -48.1 21.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -67.26 -38.66 85.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.469 HD22 ' N ' ' A' ' 58' ' ' GLU . 1.6 tt -61.67 -45.66 93.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.926 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.469 ' N ' HD22 ' A' ' 57' ' ' LEU . 48.7 mt-10 -66.92 -24.08 66.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.25 12.96 5.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.091 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.543 ' CE2' ' CD1' ' A' ' 9' ' ' LEU . 9.6 m-85 57.39 42.0 25.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 43.7 mtt180 -91.71 -26.17 18.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -101.97 104.54 15.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.984 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.6 mt -102.22 -26.89 13.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -117.07 137.37 52.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -45.78 -40.09 9.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.815 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -51.37 -36.63 44.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -71.14 -52.22 20.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.412 ' CG ' HD23 ' A' ' 12' ' ' LEU . 51.8 t80 -59.14 -31.49 69.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -72.81 -51.45 18.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -43.3 -57.11 3.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.73 -62.15 1.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.797 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -45.5 -49.67 13.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -50.56 -53.07 33.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.427 ' CD1' ' CE ' ' A' ' 46' ' ' LYS . 21.9 mt -47.74 -49.87 27.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 95.0 mt -43.05 -39.82 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.073 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 94.6 t -84.43 -51.56 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 78' ' ' ASN . 19.8 m -51.91 -70.41 0.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.772 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 77' ' ' SER . 83.8 m-20 -34.68 -41.18 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 3.5 t -71.41 -48.74 47.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.485 HD23 ' CZ ' ' A' ' 90' ' ' TYR . 50.2 mt -66.78 -10.72 50.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.417 ' NZ ' ' O ' ' A' ' 43' ' ' HIS . 13.2 tttm -99.32 -32.48 11.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.945 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -76.03 -64.55 1.07 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.469 ' HB3' ' CG2' ' A' ' 87' ' ' THR . 2.1 m-80 -99.86 -176.21 3.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.901 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.643 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -122.4 -179.44 4.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.095 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.467 ' HG3' ' CE1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -49.25 -37.01 21.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -47.58 -61.97 1.67 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.469 ' CG2' ' HB3' ' A' ' 83' ' ' ASN . 74.3 p -52.28 173.22 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.1 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 90' ' ' TYR . 5.9 mt -88.53 -63.0 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.462 ' N ' HG22 ' A' ' 88' ' ' ILE . 0.7 OUTLIER -37.92 -26.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.939 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.643 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 4.9 t80 -69.14 -59.5 2.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 30.5 mtt-85 -59.32 -37.79 78.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.824 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.67 -44.93 95.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.46 -40.27 95.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 13.5 t -50.45 -49.52 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.433 ' NE ' ' NE2' ' A' ' 99' ' ' GLN . 14.0 ttm180 -61.63 -55.11 34.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.552 HD13 ' CE1' ' A' ' 28' ' ' PHE . 30.0 mt -46.05 -48.46 16.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 38.7 ttt85 -59.3 -39.62 83.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.79 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -73.36 -65.23 0.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.433 ' NE2' ' NE ' ' A' ' 95' ' ' ARG . 61.4 mt-30 -63.11 -57.71 9.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -41.81 -37.67 2.12 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.51 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -46.29 -41.94 12.37 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.514 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.52 -31.19 67.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 0.0 111.156 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 98.9 t -72.58 -41.86 63.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 32.4 mt -75.49 -17.77 60.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -86.96 -39.59 15.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -75.95 -22.07 56.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -89.44 -30.66 18.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.074 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -57.17 -44.34 83.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.833 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -54.45 -32.91 58.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' A' ' 112' ' ' GLU . 7.7 mt-30 -70.97 -65.21 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.945 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -39.99 -24.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.061 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 110' ' ' GLN . 12.9 mt-10 -86.04 -41.56 14.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 110' ' ' GLN . 0.0 OUTLIER -71.1 -32.17 68.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.944 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 8.0 mmt -39.47 -50.09 2.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.823 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -171.01 146.03 9.35 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.532 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 91.0 p -144.37 113.33 6.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.917 0.389 . . . . 0.0 110.86 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -144.6 168.36 26.82 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 98.43 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.672 2.248 . . . . 0.0 112.317 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 97.3 p -92.2 129.87 38.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.795 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.4 t -83.52 113.7 20.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.509 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -61.82 82.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.854 0.359 . . . . 0.0 110.833 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.9 p -67.64 107.95 2.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.63 -114.26 0.41 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.485 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 m -105.74 95.62 5.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.351 . . . . 0.0 110.946 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 9' ' ' LEU . 1.7 p -72.38 -57.76 3.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -35.83 -45.1 0.77 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.527 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -56.54 -42.69 78.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.914 0.387 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.472 HD12 ' CE2' ' A' ' 60' ' ' TYR . 82.7 mt -53.45 -55.61 23.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.8 mp -47.85 -47.52 12.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.9 tp -49.57 -39.58 35.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.4 mt -75.94 -39.75 55.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.1 mtm180 -66.25 -31.27 71.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -88.47 -31.59 18.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.417 ' N ' ' HG3' ' A' ' 14' ' ' LYS . 16.8 m -72.67 -42.34 64.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.178 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 37.7 tp -55.32 -39.44 69.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.945 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -65.87 -44.17 86.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.471 HE22 ' NE2' ' A' ' 106' ' ' GLN . 30.9 mt-30 -53.84 -41.44 67.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.9 mt -59.37 -49.08 79.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.961 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 23' ' ' ASP . 11.2 mt-30 -46.51 -49.04 19.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -37.96 -44.62 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.0 mmtm -59.59 -41.38 90.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 20' ' ' GLN . 33.5 t0 -77.68 98.2 5.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.7 p -85.11 -32.45 22.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.93 -13.24 81.59 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.546 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.4 m120 56.09 42.57 28.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.839 0.352 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.9 mt -75.83 -36.03 31.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.529 ' CE1' HD13 ' A' ' 96' ' ' LEU . 1.6 m-85 -98.33 -10.87 23.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -52.85 -19.57 2.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -130.37 152.53 80.4 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.565 0.697 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -179.11 2.67 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.684 2.256 . . . . 0.0 112.323 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.3 t -116.48 123.56 30.47 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.627 0.727 . . . . 0.0 111.139 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 112.01 2.96 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.647 2.231 . . . . 0.0 112.389 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.7 mt -59.18 -32.71 70.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.96 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.1 m -55.1 -30.95 60.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -93.42 -34.6 13.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.408 ' CG1' ' OH ' ' A' ' 82' ' ' TYR . 1.2 t -120.38 84.83 35.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.56 0.695 . . . . 0.0 111.127 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -34.32 14.82 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.617 2.211 . . . . 0.0 112.309 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -79.0 3.87 16.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -51.5 -64.04 0.94 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 42' ' ' ASP . 24.6 mt -67.12 -40.52 86.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 41' ' ' LEU . 4.7 t70 -37.95 -32.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -111.68 -33.97 6.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.8 mm -86.62 124.08 40.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -79.76 -51.19 9.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.007 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.47 ' HG3' ' CD1' ' A' ' 74' ' ' LEU . 11.1 tptm -130.91 91.36 36.95 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.569 0.7 . . . . 0.0 110.903 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 160.74 48.57 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.701 2.268 . . . . 0.0 112.342 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.414 ' HB2' ' CD1' ' A' ' 74' ' ' LEU . 35.6 tpp -168.85 165.62 11.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.893 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -158.29 169.71 23.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -62.07 -36.48 81.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.45 ' CD2' ' N ' ' A' ' 52' ' ' THR . 2.7 t80 -75.92 -60.51 2.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.828 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.45 ' N ' ' CD2' ' A' ' 51' ' ' PHE . 12.3 m -44.41 -56.64 4.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.45 ' HG3' ' N ' ' A' ' 54' ' ' LYS . 14.1 ptm -50.58 -45.77 57.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.45 ' N ' ' HG3' ' A' ' 53' ' ' MET . 0.2 OUTLIER -51.96 -49.77 62.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -52.8 -49.78 64.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -60.75 -39.58 89.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.9 tt -61.62 -45.11 95.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -66.34 -23.37 66.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.86 13.33 10.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.179 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.472 ' CE2' HD12 ' A' ' 9' ' ' LEU . 6.0 m-85 57.31 42.69 24.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -90.8 -25.92 19.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -102.58 109.8 21.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.98 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.6 mt -109.17 -24.16 11.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -120.52 133.8 55.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.438 ' O ' ' C ' ' A' ' 66' ' ' ASP . 7.4 t80 -42.12 -55.71 3.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 65' ' ' PHE . 0.9 OUTLIER -35.46 -47.51 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.858 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.48 -56.4 14.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -52.31 -24.44 7.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -88.39 -42.14 12.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -51.23 -46.4 62.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -59.73 -47.85 84.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -60.97 -39.16 88.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -50.9 -50.79 56.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 77' ' ' SER . 22.0 mt -44.17 -60.88 1.69 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.437 ' C ' ' O ' ' A' ' 74' ' ' LEU . 44.6 mt -33.43 -37.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.456 HG13 ' CD1' ' A' ' 80' ' ' LEU . 47.3 t -89.1 -38.79 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 74' ' ' LEU . 25.9 t -66.94 -73.84 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.46 ' ND2' ' HB3' ' A' ' 74' ' ' LEU . 5.1 p30 -40.17 -41.93 1.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.4 t -68.32 -47.56 67.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.461 HD21 ' CZ ' ' A' ' 90' ' ' TYR . 29.0 mt -62.31 -22.71 66.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -89.87 -61.9 1.59 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.408 ' OH ' ' CG1' ' A' ' 37' ' ' VAL . 2.6 t80 -43.13 -58.52 2.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.847 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -107.28 176.0 5.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.566 ' HA ' ' CD2' ' A' ' 90' ' ' TYR . . . -123.07 166.4 15.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.078 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.563 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -38.65 -39.78 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -46.74 -48.03 20.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 51.2 p -70.76 171.02 11.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.507 ' O ' ' N ' ' A' ' 90' ' ' TYR . 1.7 mt -82.67 -60.93 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.155 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.461 ' N ' HG23 ' A' ' 88' ' ' ILE . 0.6 OUTLIER -38.75 -25.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.911 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.566 ' CD2' ' HA ' ' A' ' 84' ' ' ALA . 6.7 t80 -71.14 -58.58 3.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -52.97 -48.3 67.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.21 -40.07 67.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.74 -40.66 92.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 83.1 t -58.92 -41.89 84.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.118 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 18.0 ttp180 -62.93 -58.38 7.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.817 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.529 HD13 ' CE1' ' A' ' 28' ' ' PHE . 39.1 mt -47.0 -50.61 18.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.968 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.45 ' CD ' HG12 ' A' ' 76' ' ' VAL . 21.9 ttt-85 -55.04 -36.08 65.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -78.47 -64.61 1.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -63.48 -54.75 31.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -41.87 -35.83 1.65 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.474 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -47.78 -44.13 23.63 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.462 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.03 -34.5 74.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 0.0 111.081 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.8 t -69.31 -46.1 77.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 54.7 mt -74.69 -17.58 60.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -85.5 -40.27 16.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.471 ' NE2' HE22 ' A' ' 18' ' ' GLN . 10.5 pt20 -73.0 -28.29 62.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -86.6 -31.71 21.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -56.32 -48.79 76.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -54.59 -33.54 60.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -65.04 -63.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.849 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -43.74 -23.05 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.072 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -91.32 -44.82 8.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -20.29 62.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.421 ' HE2' ' C ' ' A' ' 7' ' ' GLY . 17.0 mtt -47.97 -51.7 22.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.857 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -133.05 134.15 7.39 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.6 m -116.69 -53.43 2.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.908 0.385 . . . . 0.0 110.804 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 178.74 -85.26 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.511 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 100.04 0.79 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.67 2.247 . . . . 0.0 112.323 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.4 m -39.78 159.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.874 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 20.7 t -144.15 143.39 31.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.818 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.239 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.463 179.952 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.8 p -116.48 -46.79 2.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.886 0.374 . . . . 0.0 110.795 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.0 m -52.92 164.49 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.828 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.27 -154.7 6.37 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.526 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m 65.68 42.68 3.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.896 0.379 . . . . 0.0 110.87 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 9' ' ' LEU . 18.6 p -45.62 -56.15 5.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.747 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -35.64 -43.45 0.57 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.512 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.535 ' CZ ' HD11 ' A' ' 12' ' ' LEU . 18.6 t80 -64.21 -45.69 87.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.902 0.382 . . . . 0.0 110.903 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 6' ' ' SER . 82.7 mt -51.38 -40.17 58.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.0 mp -63.82 -44.34 98.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 60.2 tp -50.21 -35.48 26.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.535 HD11 ' CZ ' ' A' ' 8' ' ' PHE . 9.8 mp -73.17 -49.63 27.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.969 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.451 ' HG2' ' CD2' ' A' ' 57' ' ' LEU . 15.6 mtm105 -57.82 -44.08 86.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.25 -35.8 66.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.2 m -69.21 -37.36 78.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.424 ' CD2' ' HD3' ' A' ' 54' ' ' LYS . 37.3 tp -58.84 -38.07 77.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -69.22 -41.73 76.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -55.56 -35.02 65.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.939 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.442 HD23 ' CE2' ' A' ' 72' ' ' PHE . 31.4 mt -70.9 -38.58 73.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 23' ' ' ASP . 8.5 mm-40 -57.8 -40.71 80.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.936 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -43.49 -25.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.0 mmtt -79.51 -36.41 38.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 20' ' ' GLN . 0.7 OUTLIER -64.5 119.38 10.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.901 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.4 p -113.68 -41.01 3.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.135 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.438 ' O ' ' CG ' ' A' ' 26' ' ' ASN . . . -80.1 6.47 59.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.53 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.438 ' CG ' ' O ' ' A' ' 25' ' ' GLY . 2.4 p-10 46.26 41.56 9.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.81 0.338 . . . . 0.0 110.9 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.463 HG21 ' CD1' ' A' ' 89' ' ' PHE . 72.3 mt -85.94 -37.09 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.559 ' CE1' HD12 ' A' ' 96' ' ' LEU . 1.8 m-85 -99.35 -15.1 18.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.09 -10.05 13.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -142.94 151.95 57.51 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-O 121.642 0.734 . . . . 0.0 110.792 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 140.49 42.82 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.641 2.228 . . . . 0.0 112.382 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.1 t -70.65 122.38 86.5 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.611 0.72 . . . . 0.0 111.181 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 144.54 54.47 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.718 2.279 . . . . 0.0 112.336 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.3 mt -82.93 -26.9 30.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.991 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.7 m -46.04 -43.61 14.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -92.1 -20.51 21.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.8 t -126.24 84.82 61.03 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.596 0.713 . . . . 0.0 111.102 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.82 -18.69 36.57 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.63 2.22 . . . . 0.0 112.343 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -114.95 30.48 7.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.841 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -57.16 -60.11 4.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.918 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.424 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 19.2 mt -65.62 -39.8 91.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.95 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 41' ' ' LEU . 0.9 OUTLIER -37.88 -33.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.8 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.473 ' HB2' ' CE1' ' A' ' 82' ' ' TYR . 54.2 m-70 -106.94 -32.29 7.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 19.3 mm -99.59 124.12 52.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.156 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 6.8 mptt -83.73 -38.02 21.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.847 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.5 mtpt -129.94 88.08 49.87 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.581 0.705 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.424 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 53.9 Cg_endo -69.76 89.23 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.728 2.285 . . . . 0.0 112.316 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 25.9 tpp -94.52 156.03 16.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.924 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -153.86 178.11 10.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.448 ' CE2' ' HB2' ' A' ' 28' ' ' PHE . 3.4 m-85 -69.97 -37.93 75.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -83.8 -34.73 24.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 55.7 m -66.78 -60.51 2.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.115 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.556 ' HE2' ' CE1' ' A' ' 68' ' ' PHE . 3.0 ppp? -50.27 -32.51 17.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.424 ' HD3' ' CD2' ' A' ' 16' ' ' LEU . 20.7 tptm -65.17 -40.05 93.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -59.58 -48.38 81.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -61.63 -36.17 80.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.843 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.461 HD22 ' N ' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -63.5 -42.14 98.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.461 ' N ' HD22 ' A' ' 57' ' ' LEU . 47.1 mt-10 -72.98 -11.83 60.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -98.74 18.33 17.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 53.89 44.56 29.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.945 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 37.7 mtt180 -96.7 -24.84 15.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.519 ' CZ ' ' OD2' ' A' ' 71' ' ' ASP . 18.5 m-85 -107.17 96.99 6.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.7 mt -95.56 -27.93 15.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -113.92 148.24 37.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -56.65 -43.57 80.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -51.3 -32.44 24.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -72.95 -58.65 3.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.821 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.556 ' CE1' ' HE2' ' A' ' 53' ' ' MET . 76.9 t80 -51.97 -47.67 64.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -58.83 -49.25 78.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -44.06 -55.28 4.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.519 ' OD2' ' CZ ' ' A' ' 62' ' ' TYR . 2.1 m-20 -47.01 -57.88 4.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.833 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.442 ' CE2' HD23 ' A' ' 19' ' ' LEU . 23.7 t80 -50.13 -50.02 50.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.904 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -48.21 -51.41 25.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 75' ' ' ILE . 33.2 mt -50.5 -60.54 2.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.438 ' C ' ' O ' ' A' ' 74' ' ' LEU . 77.1 mt -34.03 -39.38 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.429 ' CG1' HD11 ' A' ' 80' ' ' LEU . 85.9 t -83.12 -46.19 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.165 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 80' ' ' LEU . 14.8 t -58.36 -68.24 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -40.05 -38.54 0.74 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.823 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.9 t -74.35 -36.27 63.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.837 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 77' ' ' SER . 88.8 mt -81.31 -10.04 59.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.9 ptmt -103.57 -30.13 10.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.473 ' CE1' ' HB2' ' A' ' 43' ' ' HIS . 4.9 t80 -82.42 -50.78 8.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -100.97 -177.74 3.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.955 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.578 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -128.6 173.21 10.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.488 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 33.3 mttm -49.85 -48.32 51.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.946 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -41.32 -57.36 2.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 72.1 p -55.52 179.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.521 ' O ' ' N ' ' A' ' 90' ' ' TYR . 6.8 mt -93.58 -62.8 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.463 ' CD1' HG21 ' A' ' 27' ' ' ILE . 0.7 OUTLIER -37.38 -27.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.578 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 9.2 t80 -71.39 -57.79 4.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -58.08 -37.16 73.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.934 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.34 -40.66 89.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.32 -40.95 94.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.059 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 11.7 t -53.73 -51.35 44.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -57.07 -52.93 63.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.559 HD12 ' CE1' ' A' ' 28' ' ' PHE . 37.0 mt -45.98 -51.44 13.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 52.4 ttt85 -58.97 -37.86 77.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -72.22 -66.61 0.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -63.81 -53.62 47.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.851 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -45.6 -38.27 7.23 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.461 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -46.56 -35.09 7.1 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.472 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.82 -36.16 81.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.814 0.34 . . . . 0.0 111.112 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 69.7 t -67.34 -42.98 88.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.144 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 80.5 mt -74.86 -31.78 61.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.998 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 34.7 mtm180 -72.62 -34.07 67.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.407 ' HA ' ' NE ' ' A' ' 109' ' ' ARG . 11.1 pt20 -80.32 -26.57 38.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.956 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -87.89 -25.77 23.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.037 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 61.2 ttt-85 -56.66 -49.36 75.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.407 ' NE ' ' HA ' ' A' ' 106' ' ' GLN . 18.2 ptp180 -53.35 -33.68 54.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.935 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -66.48 -55.03 17.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.958 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.25 -14.06 1.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -100.25 -44.48 5.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.5 ptmm? -56.61 -30.46 63.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.453 ' CE ' ' HA ' ' A' ' 8' ' ' PHE . 8.2 mtt -43.87 -57.8 3.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.825 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 145.54 108.61 0.58 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.566 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 58.3 m -140.58 135.09 31.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.899 0.38 . . . . 0.0 110.865 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -124.06 -76.13 0.3 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.477 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -2.18 9.76 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.669 2.246 . . . . 0.0 112.312 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.2 t -81.35 -51.1 8.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.953 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 69.8 m -46.63 -61.14 1.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.865 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.567 -179.952 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.648 ' O ' HD12 ' A' ' 10' ' ' ILE . 12.1 p . . . . . 0 CA--C 1.526 0.045 0 CA-C-O 120.93 0.395 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.441 ' HA2' HD13 ' A' ' 10' ' ' ILE . . . -40.46 -46.2 3.53 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.767 ' CE2' HD11 ' A' ' 12' ' ' LEU . 82.2 t80 -59.03 -37.74 77.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.906 0.384 . . . . 0.0 110.895 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.666 HD11 ' CE2' ' A' ' 60' ' ' TYR . 55.2 mt -62.72 -44.68 95.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.648 HD12 ' O ' ' A' ' 6' ' ' SER . 4.9 mp -61.06 -49.58 84.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.523 ' CD2' ' HB2' ' A' ' 111' ' ' ALA . 19.6 tp -50.38 -43.4 54.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.767 HD11 ' CE2' ' A' ' 8' ' ' PHE . 58.2 mt -64.46 -55.29 21.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.428 ' CG ' HD21 ' A' ' 57' ' ' LEU . 25.8 mtp180 -50.97 -40.7 58.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.823 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.421 ' HD2' ' N ' ' A' ' 15' ' ' THR . 0.2 OUTLIER -70.27 -38.26 75.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.571 HG23 HG12 ' A' ' 103' ' ' VAL . 24.3 m -65.36 -56.93 9.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.138 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 26.2 tp -40.05 -45.83 2.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -55.84 -51.01 69.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -48.0 -45.7 31.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.2 mt -57.97 -46.23 85.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -53.87 -42.07 68.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -46.05 -42.68 13.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -62.17 -41.82 98.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -78.3 90.77 4.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.796 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 52.4 p -82.72 -21.68 34.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.65 -16.78 59.51 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 61.39 38.04 16.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.819 0.342 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.491 HG21 ' HD1' ' A' ' 89' ' ' PHE . 42.6 mt -73.39 -32.36 36.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -103.87 -13.05 16.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -50.59 -29.05 9.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.917 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -124.72 152.09 68.84 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.661 0.743 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 137.03 34.56 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.695 2.264 . . . . 0.0 112.293 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.2 t -62.36 130.51 93.25 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.7 0.762 . . . . 0.0 111.068 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 142.11 47.06 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.731 2.287 . . . . 0.0 112.318 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.1 mt -84.69 -27.41 27.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.4 t -52.53 -37.78 58.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -91.74 -26.14 18.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.0 t -122.76 84.62 49.44 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.556 0.693 . . . . 0.0 111.067 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -21.8 32.98 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.712 2.275 . . . . 0.0 112.378 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -109.29 26.72 10.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -55.56 -61.87 2.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.436 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 42.7 mt -63.39 -36.96 85.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.947 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -42.61 -23.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.423 ' N ' ' O ' ' A' ' 41' ' ' LEU . 45.5 m80 -115.75 -25.34 7.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.2 mm -107.81 120.15 58.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 40.8 mmtt -80.2 -39.08 29.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.911 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.441 ' HG2' HD13 ' A' ' 74' ' ' LEU . 48.8 tttp -131.93 86.83 46.5 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.567 0.699 . . . . 0.0 110.921 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.436 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 54.0 Cg_endo -69.8 116.9 4.78 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.592 2.195 . . . . 0.0 112.404 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.411 ' C ' HG12 ' A' ' 75' ' ' ILE . 33.3 tpp -123.56 149.62 45.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.42 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 0.3 OUTLIER -149.79 170.99 17.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -61.35 -37.62 83.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -73.8 -44.27 56.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.7 m -61.97 -55.71 26.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 7.4 ptm -50.59 -37.85 42.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.87 -54.02 51.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -50.05 -53.98 23.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -56.09 -42.28 76.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.476 ' C ' HD23 ' A' ' 57' ' ' LEU . 3.8 tt -62.59 -43.35 99.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -69.07 -16.57 63.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.62 10.12 36.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.666 ' CE2' HD11 ' A' ' 9' ' ' LEU . 5.3 m-85 60.49 41.18 16.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.971 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 51.7 mtt180 -89.87 -23.18 21.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -105.46 109.36 21.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.543 ' O ' ' CE2' ' A' ' 8' ' ' PHE . 6.7 mt -106.92 -25.01 11.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.959 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 65' ' ' PHE . 2.0 m-80 -120.34 126.24 50.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.442 ' C ' ' O ' ' A' ' 64' ' ' ASN . 12.5 t80 -34.47 -56.24 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 65' ' ' PHE . 4.1 t70 -35.36 -50.58 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.83 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -61.54 -53.93 49.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.627 ' CG ' HD22 ' A' ' 12' ' ' LEU . 49.9 t80 -55.74 -27.89 52.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -80.35 -38.81 29.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.827 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -51.39 -57.98 7.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -42.64 -57.37 2.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.815 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -50.0 -57.46 7.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -39.42 -53.18 2.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.441 HD13 ' HG2' ' A' ' 46' ' ' LYS . 65.1 mt -53.56 -56.05 20.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 74' ' ' LEU . 65.1 mt -36.23 -38.4 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.698 HG13 ' HB1' ' A' ' 93' ' ' ALA . 60.3 t -86.67 -43.65 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.187 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.3 m -58.84 -67.63 0.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.425 ' CG ' ' O ' ' A' ' 74' ' ' LEU . 2.6 p30 -44.16 -26.04 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.4 t -84.76 -38.74 19.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.568 ' CD1' HG12 ' A' ' 76' ' ' VAL . 65.1 mt -82.67 -10.88 58.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -99.86 -19.72 16.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -99.87 -41.06 7.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -106.5 166.51 10.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.567 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -115.05 164.31 14.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.152 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.57 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 37.3 mttm -43.75 -49.99 7.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.919 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -38.68 -53.86 1.6 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 52.7 p -57.7 174.71 0.22 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.161 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.505 ' O ' ' N ' ' A' ' 90' ' ' TYR . 1.7 mt -89.82 -61.77 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.491 ' HD1' HG21 ' A' ' 27' ' ' ILE . 1.0 OUTLIER -38.9 -25.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.57 ' CD1' ' HA ' ' A' ' 85' ' ' LYS . 6.4 t80 -69.06 -61.18 1.9 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 20.9 mtp85 -59.56 -29.35 67.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.427 ' CB ' HD12 ' A' ' 27' ' ' ILE . . . -70.96 -34.95 71.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.072 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.698 ' HB1' HG13 ' A' ' 76' ' ' VAL . . . -74.73 -34.92 62.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.115 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.5 t -61.49 -41.11 88.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.135 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -64.54 -42.95 95.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.823 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 60.9 mt -61.59 -47.03 87.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.591 ' HB2' HG11 ' A' ' 76' ' ' VAL . 58.7 ttt85 -62.41 -37.69 86.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -72.71 -64.59 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -64.65 -56.4 14.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -39.92 -37.4 0.97 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.464 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -45.75 -41.69 10.21 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.512 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.77 -37.41 84.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.834 0.349 . . . . 0.0 111.054 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.571 HG12 HG23 ' A' ' 15' ' ' THR . 96.7 t -66.24 -46.03 88.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.167 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 89.3 mt -71.84 -25.29 61.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 44.0 mtt180 -79.54 -32.71 42.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.854 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.403 ' HG3' ' N ' ' A' ' 107' ' ' ALA . 2.3 pt20 -81.09 -32.72 33.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.403 ' N ' ' HG3' ' A' ' 106' ' ' GLN . . . -82.82 -25.26 32.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.058 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.8 tpp85 -60.81 -47.35 86.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -58.19 -33.55 69.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.829 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -67.48 -52.93 33.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.523 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . . . -56.53 -15.06 3.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -100.96 -40.28 7.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.3 ptmm? -63.7 -22.6 66.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 8.9 mtt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.832 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 9' ' ' LEU . 2.0 m . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.987 0.422 . . . . 0.0 110.83 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.38 -57.52 1.43 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.484 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.806 ' CE2' HD11 ' A' ' 12' ' ' LEU . 46.5 t80 -47.57 -36.49 10.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 0.0 110.881 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.554 HD11 ' CE2' ' A' ' 60' ' ' TYR . 14.3 mt -60.32 -41.99 94.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 mp -65.05 -43.05 96.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.531 ' CD2' ' HB2' ' A' ' 111' ' ' ALA . 18.1 tp -58.12 -35.6 71.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.923 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.806 HD11 ' CE2' ' A' ' 8' ' ' PHE . 96.0 mt -72.7 -46.47 53.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 -64.45 -39.08 93.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -73.91 -35.24 64.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.444 ' N ' ' HG3' ' A' ' 14' ' ' LYS . 21.5 m -72.16 -42.25 66.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.424 HD13 ' SD ' ' A' ' 53' ' ' MET . 20.1 tp -54.91 -38.0 67.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.952 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -65.0 -45.42 85.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -51.3 -46.03 62.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.472 HD13 ' CD2' ' A' ' 72' ' ' PHE . 35.9 mt -58.28 -50.59 73.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -45.26 -47.7 12.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -42.31 -45.49 4.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.411 ' HB2' HD23 ' A' ' 96' ' ' LEU . 30.7 mmtm -52.16 -44.25 64.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -75.75 107.31 7.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.868 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 67.3 p -90.11 -29.89 18.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.75 -21.69 68.24 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.427 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 m120 65.33 32.09 10.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.341 . . . . 0.0 110.935 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.751 HD13 ' HD1' ' A' ' 89' ' ' PHE . 62.4 mt -67.78 -40.18 83.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.083 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.401 ' HB2' ' CD2' ' A' ' 50' ' ' PHE . 2.0 m-85 -92.32 -12.59 32.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -52.44 -17.34 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.827 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -132.69 151.89 78.93 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.688 0.756 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 137.51 35.48 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.66 2.24 . . . . 0.0 112.318 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 88.4 t -62.38 122.36 72.77 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.615 0.722 . . . . 0.0 111.134 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 121.34 8.04 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.639 2.226 . . . . 0.0 112.362 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 53.3 mt -65.04 -23.15 67.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.8 t -58.54 -38.61 78.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.811 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -88.53 -30.5 19.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.6 t -120.48 84.34 35.71 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.606 0.717 . . . . 0.0 111.123 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 -18.22 37.31 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.71 2.274 . . . . 0.0 112.35 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 39' ' ' ASP . 1.5 p-10 -109.75 24.93 12.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.421 ' CE2' ' HB3' ' A' ' 47' ' ' PRO . 22.6 t80 -57.83 -56.77 17.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.469 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 25.3 mt -69.33 -30.57 68.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -48.88 -37.9 21.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -106.48 -24.97 12.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.4 mm -104.25 100.78 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.141 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 50.8 mmtt -59.69 -47.88 83.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.421 ' HE2' ' CD1' ' A' ' 74' ' ' LEU . 36.0 tttt -131.99 87.74 43.47 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.508 0.67 . . . . 0.0 110.871 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.469 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 53.3 Cg_endo -69.85 148.13 63.84 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.643 2.228 . . . . 0.0 112.292 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.448 ' O ' ' CG ' ' A' ' 49' ' ' ASP . 32.4 tpp -141.78 165.39 27.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.799 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.448 ' CG ' ' O ' ' A' ' 48' ' ' MET . 4.2 m-20 -162.6 175.61 11.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.401 ' CD2' ' HB2' ' A' ' 28' ' ' PHE . 3.5 m-85 -70.29 -35.74 73.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.531 ' C ' ' CD1' ' A' ' 51' ' ' PHE . 0.4 OUTLIER -83.14 -36.52 24.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.907 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 59.1 m -61.0 -54.66 42.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.424 ' SD ' HD13 ' A' ' 16' ' ' LEU . 24.0 ptm -55.98 -39.18 71.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -54.17 -51.52 64.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -52.73 -55.31 23.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 42.2 m-20 -57.73 -42.8 84.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.493 ' C ' HD23 ' A' ' 57' ' ' LEU . 2.7 tt -59.71 -45.6 91.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.476 ' N ' HD23 ' A' ' 57' ' ' LEU . 21.2 mm-40 -66.82 -22.07 66.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.11 15.16 6.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.554 ' CE2' HD11 ' A' ' 9' ' ' LEU . 9.4 m-85 55.26 39.67 31.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.949 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 49.7 mtt180 -89.02 -25.51 21.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.823 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -103.94 116.18 31.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.6 mt -115.11 -23.9 8.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -119.7 141.48 49.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -50.73 -46.47 59.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -50.74 -25.08 3.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.797 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -86.73 -45.48 10.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.509 ' CG ' HD22 ' A' ' 12' ' ' LEU . 59.4 t80 -66.65 -25.31 66.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -89.34 -23.32 22.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -62.43 -45.41 93.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.836 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.486 ' OD1' ' N ' ' A' ' 72' ' ' PHE . 0.5 OUTLIER -64.72 -51.89 59.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.507 ' HA ' HD12 ' A' ' 75' ' ' ILE . 2.0 t80 -50.17 -38.44 39.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -62.5 -37.2 85.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.421 ' CD1' ' HE2' ' A' ' 46' ' ' LYS . 39.4 mt -63.83 -45.8 87.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.507 HD12 ' HA ' ' A' ' 72' ' ' PHE . 68.7 mt -48.04 -30.11 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.126 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.537 HG11 ' HB2' ' A' ' 97' ' ' ARG . 57.7 t -91.85 -50.04 12.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.106 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 80' ' ' LEU . 1.6 t -57.14 -66.68 0.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.431 ' ND2' ' HA ' ' A' ' 47' ' ' PRO . 90.0 m-20 -38.4 -41.18 0.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 34.5 t -70.97 -41.61 70.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 77' ' ' SER . 85.2 mt -74.67 -12.67 60.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -97.02 -34.99 10.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -78.77 -57.41 3.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.564 ' HB3' HG21 ' A' ' 87' ' ' THR . 7.7 m-20 -103.27 173.86 6.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.642 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -120.95 179.45 4.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.458 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 14.1 mtpp -51.59 -38.1 52.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -48.49 -36.32 14.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.564 HG21 ' HB3' ' A' ' 83' ' ' ASN . 61.8 p -79.91 169.5 17.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.175 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.502 HG22 ' N ' ' A' ' 89' ' ' PHE . 4.8 mt -83.27 -64.35 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.751 ' HD1' HD13 ' A' ' 27' ' ' ILE . 1.1 m-85 -38.84 -25.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.642 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 8.7 t80 -67.86 -47.54 68.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.429 ' NH1' ' HB3' ' A' ' 91' ' ' ARG . 10.0 mtp-105 -64.49 -48.96 73.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.958 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.56 -44.17 69.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.119 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.24 -41.41 96.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 38.8 t -58.59 -37.57 65.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.156 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.7 ttt180 -70.42 -48.88 54.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 100' ' ' GLY . 77.5 mt -54.39 -49.38 70.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.537 ' HB2' HG11 ' A' ' 76' ' ' VAL . 49.0 ttt85 -58.14 -41.24 83.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.836 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -69.89 -67.0 0.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -64.18 -54.5 32.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -41.22 -39.47 2.21 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.513 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -49.72 -40.91 34.18 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.411 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.64 -29.44 69.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.812 0.339 . . . . 0.0 111.068 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.1 t -77.37 -40.18 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 73.9 mt -73.54 -26.18 60.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.996 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 24.3 mtp180 -82.34 -32.22 29.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -79.33 -25.09 42.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -92.08 -27.25 17.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.171 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 35.0 ttp85 -56.72 -50.3 72.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -51.17 -33.48 27.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -67.25 -59.26 3.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.531 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . . . -47.81 -21.44 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.074 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -94.97 -45.9 7.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 10.1 pttp -55.43 -19.79 10.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.821 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 8.9 mmt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.892 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 9' ' ' LEU . 1.6 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.929 0.395 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.439 ' HA2' HD13 ' A' ' 10' ' ' ILE . . . -40.03 -38.08 1.16 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.444 ' CZ ' HD11 ' A' ' 12' ' ' LEU . 56.9 t80 -65.32 -41.1 94.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.357 . . . . 0.0 110.889 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 6' ' ' SER . 67.6 mt -55.67 -34.93 65.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.495 HD12 ' N ' ' A' ' 10' ' ' ILE . 3.5 mp -69.11 -46.05 78.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.651 ' CD2' ' HB2' ' A' ' 111' ' ' ALA . 52.5 tp -52.34 -32.63 39.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.732 ' HB3' HD12 ' A' ' 57' ' ' LEU . 6.2 mp -75.39 -50.25 16.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.981 ' HG2' HD21 ' A' ' 57' ' ' LEU . 71.9 mtp180 -60.89 -36.05 78.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -77.2 -35.31 55.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.427 ' N ' ' HG3' ' A' ' 14' ' ' LYS . 17.7 m -71.59 -40.32 69.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.138 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.487 ' CD2' ' CD ' ' A' ' 54' ' ' LYS . 9.4 tp -55.47 -40.61 71.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.982 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -63.86 -42.52 97.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -54.3 -40.67 68.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.837 HD13 ' CD2' ' A' ' 72' ' ' PHE . 65.0 mt -64.17 -51.41 63.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' A' ' 23' ' ' ASP . 26.1 mt-30 -46.07 -47.52 17.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -40.4 -39.16 0.93 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -61.15 -42.03 97.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 20' ' ' GLN . 40.2 t0 -75.89 107.29 7.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.836 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 66.7 p -89.51 -25.78 21.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.02 -19.33 57.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.518 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.5 m120 66.05 35.79 6.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.34 . . . . 0.0 110.937 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.52 HD13 ' HD1' ' A' ' 89' ' ' PHE . 67.1 mt -68.88 -44.25 81.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.173 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.457 ' HB2' ' CD2' ' A' ' 50' ' ' PHE . 1.1 m-85 -91.94 -5.03 53.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -62.33 -12.82 23.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.815 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -144.49 150.73 48.62 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.647 0.737 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 150.17 67.75 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.676 2.251 . . . . 0.0 112.333 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.8 t -80.19 123.68 83.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.64 0.733 . . . . 0.0 111.19 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 124.25 10.88 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.626 2.217 . . . . 0.0 112.326 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.7 mt -59.69 -33.55 71.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.6 m -45.01 -35.03 2.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.804 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -94.74 -29.73 14.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.8 t -125.3 86.23 57.29 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.708 0.766 . . . . 0.0 111.144 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.66 -18.53 37.44 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.634 2.223 . . . . 0.0 112.38 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -107.25 22.22 16.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.418 ' CE2' ' HB3' ' A' ' 47' ' ' PRO . 13.9 t80 -56.45 -65.01 0.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.452 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 16.3 mt -61.86 -41.33 97.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -38.13 -36.33 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.431 ' HB2' ' CE1' ' A' ' 82' ' ' TYR . 59.3 m-70 -104.96 -31.28 9.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.8 mm -101.57 119.19 49.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.5 mmtm -77.86 -43.04 31.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -128.02 87.24 56.09 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.616 0.722 . . . . 0.0 110.837 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.452 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 53.5 Cg_endo -69.82 93.76 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.669 2.246 . . . . 0.0 112.283 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 35.4 tpp -91.78 157.98 16.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.96 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -159.85 159.85 33.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.457 ' CD2' ' HB2' ' A' ' 28' ' ' PHE . 9.7 m-85 -53.93 -34.07 58.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -85.88 -39.31 17.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 27.7 m -61.13 -51.18 70.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.457 ' SD ' HD13 ' A' ' 16' ' ' LEU . 11.1 ptm -57.05 -34.71 68.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.487 ' CD ' ' CD2' ' A' ' 16' ' ' LEU . 16.1 tptm -58.07 -51.89 67.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -49.79 -50.89 43.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -64.79 -40.27 94.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.981 HD21 ' HG2' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -59.86 -41.72 92.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.946 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.658 ' N ' HD23 ' A' ' 57' ' ' LEU . 15.4 mt-10 -81.07 -6.39 58.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -98.28 16.81 20.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.073 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 57.78 35.74 25.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.6 mtt180 -90.13 -25.84 20.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -107.8 113.22 26.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.963 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.4 mt -110.34 -26.72 9.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.508 ' ND2' ' OD2' ' A' ' 67' ' ' ASP . 0.7 OUTLIER -122.47 143.88 49.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -51.51 -40.4 59.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -51.59 -25.64 7.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.508 ' OD2' ' ND2' ' A' ' 64' ' ' ASN . 83.2 m-20 -87.43 -50.13 6.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.443 ' CG ' ' HG ' ' A' ' 12' ' ' LEU . 45.5 t80 -63.77 -21.01 66.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.91 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -88.16 -22.0 24.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.87 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -69.66 -52.78 22.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.84 -51.69 65.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.837 ' CD2' HD13 ' A' ' 19' ' ' LEU . 5.4 t80 -51.87 -39.53 59.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -61.22 -34.61 75.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.935 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 76' ' ' VAL . 34.8 mt -67.31 -54.36 21.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 72' ' ' PHE . 73.8 mt -38.93 -27.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.19 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.684 HG11 ' HB2' ' A' ' 97' ' ' ARG . 74.2 t -94.95 -43.52 13.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.142 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 80' ' ' LEU . 9.2 t -59.85 -68.78 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -41.44 -31.66 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 3.8 t -80.89 -38.81 27.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.586 HD12 HG12 ' A' ' 76' ' ' VAL . 74.8 mt -79.52 -12.03 59.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.46 ' CG ' ' N ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -98.28 -45.94 6.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.836 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.46 ' N ' ' CG ' ' A' ' 81' ' ' LYS . 10.3 t80 -66.6 -56.43 10.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.963 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -98.14 172.34 7.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.639 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -119.5 164.22 16.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.559 ' HG3' ' CE1' ' A' ' 90' ' ' TYR . 66.0 mttt -41.48 -44.02 2.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -41.15 -47.37 3.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 43.0 p -69.28 170.42 10.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.502 ' O ' ' N ' ' A' ' 90' ' ' TYR . 1.6 mt -82.32 -61.45 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.52 ' HD1' HD13 ' A' ' 27' ' ' ILE . 1.4 m-85 -39.03 -25.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.639 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 6.1 t80 -70.52 -60.56 2.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.941 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -55.47 -37.0 67.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.19 -43.84 90.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.076 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.552 ' HB1' HG13 ' A' ' 76' ' ' VAL . . . -61.55 -42.51 98.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.019 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.529 HG23 HD21 ' A' ' 80' ' ' LEU . 37.6 t -54.73 -42.39 61.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.427 ' HD2' ' NE2' ' A' ' 99' ' ' GLN . 5.8 ttp-105 -61.52 -59.98 4.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 100' ' ' GLY . 86.0 mt -45.29 -50.22 12.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.971 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.684 ' HB2' HG11 ' A' ' 76' ' ' VAL . 58.3 ttt85 -57.28 -41.0 78.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -74.07 -67.38 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.427 ' NE2' ' HD2' ' A' ' 95' ' ' ARG . 59.2 mt-30 -62.75 -54.03 45.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -45.19 -34.57 4.49 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.533 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -49.76 -41.69 35.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.478 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.2 -25.14 68.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.341 . . . . 0.0 111.094 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 97.2 t -78.64 -38.85 22.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 57.7 mt -78.77 -16.48 57.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 70.0 mtm180 -89.3 -39.5 13.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.81 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.441 ' OE1' ' HB2' ' A' ' 107' ' ' ALA . 0.0 OUTLIER -69.65 -29.53 67.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.441 ' HB2' ' OE1' ' A' ' 106' ' ' GLN . . . -85.46 -29.54 24.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -51.17 -43.99 61.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -57.22 -37.42 72.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -65.05 -53.17 49.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.651 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . . . -54.12 -15.96 1.77 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -101.63 -38.43 7.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 11.6 pttp -62.54 -21.1 65.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 7.1 mtt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.92 179.866 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.527 ' O ' HD12 ' A' ' 10' ' ' ILE . 5.5 m . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.949 0.404 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -40.44 -56.82 2.82 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.502 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.82 ' CE2' HD11 ' A' ' 12' ' ' LEU . 68.2 t80 -46.7 -45.59 19.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.911 0.386 . . . . 0.0 110.901 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.55 HD11 ' CE2' ' A' ' 60' ' ' TYR . 21.9 mt -51.94 -54.72 26.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.654 HD12 ' H ' ' A' ' 10' ' ' ILE . 5.0 mp -53.76 -56.32 9.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.9 tp -41.75 -40.52 2.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.82 HD11 ' CE2' ' A' ' 8' ' ' PHE . 72.1 mt -68.9 -45.07 71.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.481 ' HG2' HD21 ' A' ' 57' ' ' LEU . 54.0 mtm180 -58.32 -42.7 87.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 15' ' ' THR . 0.2 OUTLIER -72.35 -38.63 68.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.434 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 87.0 m -68.18 -35.33 77.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.181 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.427 HD13 ' SD ' ' A' ' 53' ' ' MET . 35.9 tp -62.02 -39.55 92.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -65.48 -45.04 85.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -53.54 -35.6 60.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.451 HD13 ' CD2' ' A' ' 72' ' ' PHE . 50.2 mt -67.78 -39.34 84.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -59.9 -44.62 94.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -42.07 -45.78 4.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.946 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.469 ' HB2' ' CD2' ' A' ' 96' ' ' LEU . 28.9 mmtm -53.73 -42.24 67.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -78.88 85.1 4.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 52.1 p -70.99 -27.64 63.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.54 -17.05 69.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.437 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.0 m120 62.42 34.42 15.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.862 0.363 . . . . 0.0 110.914 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.428 HG21 ' HD1' ' A' ' 89' ' ' PHE . 21.4 mt -68.8 -36.59 74.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.173 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -99.65 -10.05 22.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -56.88 -14.08 3.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -140.16 152.1 66.42 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.699 0.761 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 137.8 36.3 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.678 2.252 . . . . 0.0 112.343 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.5 t -65.17 129.96 94.63 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.584 0.707 . . . . 0.0 111.073 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 146.21 59.67 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.651 2.234 . . . . 0.0 112.332 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 54.0 mt -84.48 -25.35 28.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.5 t -52.99 -42.89 66.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.771 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -89.85 -22.38 22.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.818 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.1 t -127.19 83.08 66.92 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.622 0.725 . . . . 0.0 111.072 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -20.82 34.09 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.739 2.293 . . . . 0.0 112.353 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -110.61 26.52 10.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -52.9 -52.5 57.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 43' ' ' HIS . 54.1 mt -73.46 -37.85 65.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 41' ' ' LEU . 15.9 t70 -37.08 -30.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.465 ' N ' ' O ' ' A' ' 41' ' ' LEU . 50.0 m80 -111.42 -35.06 5.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.4 mm -94.5 129.9 44.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.1 mmtt -89.86 -41.6 11.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.898 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.1 tttp -128.78 87.16 55.56 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.599 0.714 . . . . 0.0 110.878 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 109.63 2.37 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.694 2.263 . . . . 0.0 112.353 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 25.8 tpp -110.45 162.51 14.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -160.8 172.84 16.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -62.65 -56.52 16.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -65.86 -42.85 89.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.5 m -58.37 -54.54 45.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.439 ' HG3' ' N ' ' A' ' 54' ' ' LYS . 2.4 ppp? -55.1 -33.55 62.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.446 ' HD2' HD22 ' A' ' 57' ' ' LEU . 9.6 tptm -64.16 -48.03 77.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -52.07 -45.11 64.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.838 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -68.17 -37.66 81.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.804 HD23 ' N ' ' A' ' 58' ' ' GLU . 0.9 OUTLIER -61.75 -57.05 13.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.804 ' N ' HD23 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -57.91 -20.74 39.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.23 9.99 13.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.158 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.55 ' CE2' HD11 ' A' ' 9' ' ' LEU . 16.3 m-85 60.22 43.18 14.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.1 mtt85 -94.54 -23.95 17.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.474 ' CZ ' ' OD2' ' A' ' 71' ' ' ASP . 13.8 m-85 -107.53 111.52 23.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.977 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.6 mt -107.46 -23.09 12.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -117.44 134.32 54.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -42.99 -38.01 2.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -55.56 -42.18 74.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -64.73 -60.9 2.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.515 ' CG ' HD22 ' A' ' 12' ' ' LEU . 48.7 t80 -48.3 -45.11 34.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -67.1 -50.79 60.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -38.61 -52.53 1.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.474 ' OD2' ' CZ ' ' A' ' 62' ' ' TYR . 15.0 m-20 -52.69 -55.72 20.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.832 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.451 ' CD2' HD13 ' A' ' 19' ' ' LEU . 10.6 t80 -50.64 -43.3 57.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -53.0 -56.1 18.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.446 ' HB3' ' ND2' ' A' ' 78' ' ' ASN . 73.9 mt -44.49 -52.0 8.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 83.5 mt -40.48 -46.64 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.653 HG11 ' HB2' ' A' ' 97' ' ' ARG . 84.0 t -77.63 -51.5 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.074 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 80' ' ' LEU . 12.8 m -56.05 -65.57 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.811 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.446 ' ND2' ' HB3' ' A' ' 74' ' ' LEU . 83.7 m-20 -40.98 -33.01 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 6.4 t -76.72 -42.55 40.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.52 ' CD1' HG12 ' A' ' 76' ' ' VAL . 10.9 mt -75.28 -15.03 60.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -94.31 -25.39 17.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -84.33 -55.68 4.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.957 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.559 ' HB3' HG21 ' A' ' 87' ' ' THR . 6.1 m-80 -108.71 -175.34 2.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.566 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -119.45 -174.55 2.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.576 ' HG3' ' CE1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -64.78 -15.16 61.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.86 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -72.54 -27.97 62.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.852 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.559 HG21 ' HB3' ' A' ' 83' ' ' ASN . 72.9 p -85.77 165.42 16.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.523 HG22 ' N ' ' A' ' 89' ' ' PHE . 3.9 mt -76.67 -65.0 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.523 ' N ' HG22 ' A' ' 88' ' ' ILE . 0.8 OUTLIER -37.92 -26.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.576 ' CE1' ' HG3' ' A' ' 85' ' ' LYS . 4.5 t80 -72.88 -68.36 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.011 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 44.2 mtp85 -49.01 -41.07 33.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.82 -40.98 99.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.409 ' HB1' HG13 ' A' ' 76' ' ' VAL . . . -67.33 -40.53 85.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 24.4 t -54.9 -41.42 57.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -64.82 -43.52 92.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 22' ' ' LYS . 31.6 mt -58.29 -43.21 87.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.653 ' HB2' HG11 ' A' ' 76' ' ' VAL . 49.7 ttt85 -63.14 -35.84 81.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -75.39 -60.5 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -68.87 -56.96 6.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.984 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -38.26 -39.86 0.8 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.463 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -45.76 -47.95 13.34 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.43 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.02 -27.69 33.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 111.093 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 68.9 t -79.27 -45.57 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 56.4 mt -72.96 -17.62 61.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.0 mtp180 -87.34 -38.04 16.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -74.05 -35.51 64.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.28 -21.99 42.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 7.8 tpp85 -59.61 -50.36 74.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -55.55 -32.31 62.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -68.66 -57.61 5.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.42 -14.86 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.087 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -100.46 -40.22 7.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -60.35 -25.16 65.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.818 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 14.0 mmt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 179.856 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.475 ' O ' ' N ' ' A' ' 9' ' ' LEU . 10.1 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.908 0.385 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -34.35 -43.87 0.38 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.518 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.549 ' CE2' HD11 ' A' ' 12' ' ' LEU . 87.8 t80 -58.17 -44.76 88.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 110.836 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.574 ' CD1' ' CE2' ' A' ' 60' ' ' TYR . 70.0 mt -59.47 -41.11 89.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.408 HD12 ' H ' ' A' ' 10' ' ' ILE . 4.5 mp -68.56 -43.7 83.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.7 tp -52.96 -39.99 63.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.549 HD11 ' CE2' ' A' ' 8' ' ' PHE . 47.4 mt -69.29 -52.6 25.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.539 ' CG ' HD21 ' A' ' 57' ' ' LEU . 79.7 mtt180 -48.06 -44.21 31.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.462 ' HD2' ' N ' ' A' ' 15' ' ' THR . 0.2 OUTLIER -71.12 -42.97 68.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.566 HG23 HG12 ' A' ' 103' ' ' VAL . 54.1 m -58.08 -49.68 76.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.784 HD13 ' SD ' ' A' ' 53' ' ' MET . 20.6 tp -50.32 -46.66 55.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -54.13 -51.84 62.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -45.7 -48.4 15.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.591 HD13 ' CD2' ' A' ' 72' ' ' PHE . 18.5 mt -57.53 -46.45 83.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -51.3 -43.69 61.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -48.86 -43.68 39.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.4 mmtt -58.02 -40.82 81.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -71.9 79.74 0.89 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.5 p -66.21 -35.85 81.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.426 ' O ' ' CG ' ' A' ' 26' ' ' ASN . . . -78.28 -9.15 87.21 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.437 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.426 ' CG ' ' O ' ' A' ' 25' ' ' GLY . 5.1 p-10 46.82 44.75 14.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.797 0.332 . . . . 0.0 110.88 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.587 HG21 ' HD1' ' A' ' 89' ' ' PHE . 86.4 mt -79.83 -38.76 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -92.06 -15.83 27.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -49.32 -18.73 0.4 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -132.53 152.34 79.82 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.697 0.76 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 133.56 25.84 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.642 2.228 . . . . 0.0 112.337 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.6 t -59.85 126.07 82.2 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.666 0.746 . . . . 0.0 111.162 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 141.95 46.77 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.685 2.257 . . . . 0.0 112.377 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 41.3 mt -82.46 -26.06 32.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.949 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.0 m -50.83 -40.91 56.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -90.81 -28.42 18.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.6 t -120.21 83.98 33.24 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.683 0.754 . . . . 0.0 111.126 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -17.9 37.51 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.695 2.264 . . . . 0.0 112.31 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -112.38 27.42 9.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -58.27 -61.96 2.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.441 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 24.7 mt -64.65 -33.09 75.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.899 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.0 -33.97 2.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.491 ' HB2' ' CE1' ' A' ' 82' ' ' TYR . 36.4 m-70 -105.75 -30.79 9.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.457 ' CD1' ' HD3' ' A' ' 81' ' ' LYS . 11.7 mm -101.47 123.7 54.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -82.27 -45.3 15.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.9 tttp -125.55 86.84 56.7 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.526 0.679 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.441 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 53.2 Cg_endo -69.73 113.41 3.36 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.642 2.228 . . . . 0.0 112.356 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 42.3 tpp -110.69 157.18 20.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -150.74 179.92 7.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -75.6 -39.68 57.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -77.48 -40.15 44.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.6 m -63.01 -52.71 61.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.152 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.784 ' SD ' HD13 ' A' ' 16' ' ' LEU . 3.6 ppp? -53.92 -36.53 62.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.635 ' HD3' HD23 ' A' ' 16' ' ' LEU . 14.8 tptm -65.68 -45.15 83.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -54.73 -46.33 74.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -66.25 -39.36 89.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.539 HD21 ' CG ' ' A' ' 13' ' ' ARG . 1.9 tt -61.08 -42.86 99.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.424 ' N ' HD23 ' A' ' 57' ' ' LEU . 8.1 mm-40 -67.71 -19.43 65.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.36 20.53 7.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.154 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.574 ' CE2' ' CD1' ' A' ' 9' ' ' LEU . 8.2 m-85 51.61 43.68 29.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.1 mtt-85 -93.26 -22.4 19.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -110.15 107.97 17.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.497 ' O ' ' CE2' ' A' ' 8' ' ' PHE . 7.2 mt -105.74 -25.58 12.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -114.15 146.04 40.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -55.07 -49.5 71.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -46.04 -32.19 2.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.933 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -76.45 -59.65 2.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.432 ' CG ' HD22 ' A' ' 12' ' ' LEU . 20.0 t80 -54.87 -25.5 29.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -84.93 -31.16 23.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -58.2 -56.5 21.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.836 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.532 ' CG ' ' N ' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -49.26 -54.91 14.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.852 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.591 ' CD2' HD13 ' A' ' 19' ' ' LEU . 12.8 t80 -50.73 -45.33 58.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -57.74 -49.42 76.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 74' ' ' LEU . 14.7 mt -44.78 -52.49 8.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 57.7 mt -47.25 -47.15 9.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.404 HG11 ' HB2' ' A' ' 97' ' ' ARG . 89.4 t -67.91 -53.74 28.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 80' ' ' LEU . 10.3 p -61.96 -66.69 0.5 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 77' ' ' SER . 77.5 m-20 -36.18 -31.16 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.867 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.482 ' N ' ' O ' ' A' ' 77' ' ' SER . 7.8 t -81.22 -44.14 18.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 77' ' ' SER . 27.5 mt -71.79 -19.32 62.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.457 ' HD3' ' CD1' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -89.95 -36.23 15.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.844 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.491 ' CE1' ' HB2' ' A' ' 43' ' ' HIS . 12.7 t80 -77.48 -52.64 8.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.914 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.553 ' HB3' HG21 ' A' ' 87' ' ' THR . 1.8 m-80 -103.75 -176.38 3.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.647 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -125.68 -178.42 4.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.069 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.446 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -54.25 -34.3 60.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.937 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.08 -61.0 2.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.553 HG21 ' HB3' ' A' ' 83' ' ' ASN . 66.8 p -49.07 170.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.504 ' O ' ' N ' ' A' ' 90' ' ' TYR . 7.5 mt -87.07 -64.19 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.171 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.587 ' HD1' HG21 ' A' ' 27' ' ' ILE . 0.8 OUTLIER -38.16 -26.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.647 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 7.8 t80 -68.41 -65.76 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.954 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 52.8 mtt-85 -52.15 -41.4 62.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.46 -48.04 83.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.072 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -55.67 -45.11 77.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 43.5 t -50.53 -51.81 17.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.16 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 6.2 ttp-105 -55.75 -54.98 37.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 13.3 mt -43.97 -47.53 8.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.404 ' HB2' HG11 ' A' ' 76' ' ' VAL . 50.6 ttt-85 -64.91 -35.16 80.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -65.12 -66.53 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -69.04 -49.12 60.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -42.15 -39.8 3.15 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -47.06 -44.76 19.51 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.538 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.65 -27.15 62.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.836 0.35 . . . . 0.0 111.126 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.566 HG12 HG23 ' A' ' 15' ' ' THR . 87.6 t -82.1 -40.64 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 68.4 mt -75.76 -19.04 59.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 24.7 mtt85 -89.95 -39.27 13.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -70.88 -20.5 62.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -93.81 -38.37 11.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.048 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -47.55 -46.0 27.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -57.4 -34.58 69.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.954 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -66.68 -54.03 27.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.31 -16.92 1.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -94.92 -41.45 9.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 11.9 pttp -62.8 -28.37 69.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 8.3 mmt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.855 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 9' ' ' LEU . 4.4 p . . . . . 0 CA--C 1.526 0.057 0 CA-C-O 120.93 0.395 . . . . 0.0 110.818 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.92 -45.68 1.63 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.457 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.493 ' CE1' HD11 ' A' ' 12' ' ' LEU . 43.8 t80 -60.18 -41.53 93.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.94 0.4 . . . . 0.0 110.899 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.711 HD11 ' CE2' ' A' ' 60' ' ' TYR . 18.9 mt -54.1 -41.94 68.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.976 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.439 HD12 ' H ' ' A' ' 10' ' ' ILE . 3.3 mp -59.24 -44.56 92.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.141 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 52.0 tp -53.53 -38.23 63.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.76 ' HB3' HD12 ' A' ' 57' ' ' LEU . 7.5 mp -74.59 -47.54 31.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.81 ' HG2' HD21 ' A' ' 57' ' ' LEU . 38.7 mtp180 -61.52 -32.98 73.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -83.68 -32.9 25.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.438 ' N ' ' HG3' ' A' ' 14' ' ' LYS . 18.5 m -73.43 -37.77 65.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.218 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.62 HD13 ' SD ' ' A' ' 53' ' ' MET . 29.1 tp -56.98 -40.72 77.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -65.04 -47.89 75.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -53.61 -31.2 46.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.973 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.414 HD13 ' CD2' ' A' ' 72' ' ' PHE . 96.2 mt -73.33 -45.57 54.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.401 ' O ' ' N ' ' A' ' 23' ' ' ASP . 10.5 mt-30 -53.41 -39.01 63.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -40.55 -42.84 1.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.582 ' HB2' HD23 ' A' ' 96' ' ' LEU . 24.8 mmtm -60.33 -42.33 95.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 20' ' ' GLN . 56.1 t0 -69.5 117.76 11.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.969 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.6 p -115.79 -24.95 7.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.203 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.44 ' O ' ' CG ' ' A' ' 26' ' ' ASN . . . -87.78 5.72 84.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.44 ' CG ' ' O ' ' A' ' 25' ' ' GLY . 1.9 p-10 46.25 42.71 10.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.828 0.347 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.481 HD13 ' HD1' ' A' ' 89' ' ' PHE . 74.7 mt -87.02 -36.59 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.063 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.58 ' CD1' HD11 ' A' ' 96' ' ' LEU . 4.3 m-85 -100.21 -14.81 18.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 t -51.97 -30.14 23.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -127.19 152.29 75.75 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.678 0.752 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.82 135.84 31.34 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.629 2.219 . . . . 0.0 112.392 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.3 t -53.86 126.48 50.52 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.663 0.745 . . . . 0.0 111.127 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 136.97 34.54 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.686 2.257 . . . . 0.0 112.354 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.3 mt -81.48 -38.49 26.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.9 t -48.09 -25.7 1.55 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -102.76 -29.45 11.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -130.81 83.84 60.26 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.625 0.726 . . . . 0.0 111.185 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -18.36 37.09 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.714 2.276 . . . . 0.0 112.298 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.49 ' OD1' ' CB ' ' A' ' 42' ' ' ASP . 6.4 t0 -99.28 14.32 29.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -57.86 -58.31 8.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.98 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.4 mt -63.02 -34.76 78.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.49 ' CB ' ' OD1' ' A' ' 39' ' ' ASP . 24.5 t0 -45.91 -41.76 11.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 45.4 m-70 -97.02 -41.58 8.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.9 mm -89.85 115.44 29.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.132 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.7 mmtm -75.03 -47.28 29.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -124.94 86.92 55.94 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.606 0.717 . . . . 0.0 110.879 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 97.8 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.669 2.246 . . . . 0.0 112.316 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.1 tpp -102.23 149.78 23.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -143.07 -177.44 5.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -73.89 -30.3 62.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -86.25 -47.5 9.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.6 m -54.17 -54.08 44.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.112 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.62 ' SD ' HD13 ' A' ' 16' ' ' LEU . 28.1 ptm -55.01 -38.27 67.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.816 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.595 ' HD2' HD22 ' A' ' 57' ' ' LEU . 13.3 tptm -58.39 -46.02 87.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -56.25 -58.32 8.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 57.6 m-20 -52.37 -39.52 60.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.951 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.81 HD21 ' HG2' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -58.71 -41.52 86.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.858 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.619 ' N ' HD23 ' A' ' 57' ' ' LEU . 58.8 mt-10 -76.02 -10.12 59.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -98.26 19.69 13.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.073 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.711 ' CE2' HD11 ' A' ' 9' ' ' LEU . 76.7 m-85 51.67 41.66 29.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 -93.04 -24.27 18.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -107.11 118.49 36.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.962 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.3 mt -117.04 -23.12 8.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.951 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -119.09 143.04 47.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -55.17 -41.78 72.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -52.24 -29.95 25.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -76.79 -62.44 1.64 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.419 ' CG ' ' HG ' ' A' ' 12' ' ' LEU . 24.2 t80 -50.88 -35.01 30.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -76.45 -21.06 56.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -73.83 -48.5 30.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 72' ' ' PHE . 0.3 OUTLIER -55.72 -44.72 77.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.743 ' HA ' HD12 ' A' ' 75' ' ' ILE . 7.6 t80 -57.19 -50.25 73.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 -50.2 -47.52 54.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 74' ' ' LEU . 15.2 mt -49.47 -43.83 45.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.743 HD12 ' HA ' ' A' ' 72' ' ' PHE . 26.6 mt -53.51 -46.0 59.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.513 HG11 ' HB2' ' A' ' 97' ' ' ARG . 55.6 t -71.24 -56.15 11.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.237 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.501 ' O ' ' N ' ' A' ' 80' ' ' LEU . 23.4 p -56.08 -70.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -37.33 -28.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.491 ' N ' ' O ' ' A' ' 77' ' ' SER . 6.2 t -83.76 -42.81 16.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.811 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.525 HD21 HG23 ' A' ' 94' ' ' VAL . 58.5 mt -74.36 -12.63 60.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.975 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -96.38 -27.68 14.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -83.99 -49.21 9.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.921 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -100.22 178.48 4.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.795 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.611 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -120.3 166.09 13.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.055 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.512 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 17.0 mtmt -52.2 -29.66 23.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.1 -41.65 98.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 44.9 p -69.64 174.2 5.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.511 ' O ' ' N ' ' A' ' 90' ' ' TYR . 4.1 mt -85.56 -62.14 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.493 ' N ' HG22 ' A' ' 88' ' ' ILE . 0.7 OUTLIER -38.46 -26.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.611 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 7.5 t80 -70.12 -60.96 1.97 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 56.2 mtp85 -56.29 -40.04 73.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.41 -44.02 96.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.136 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.28 -39.8 93.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.071 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.525 HG23 HD21 ' A' ' 80' ' ' LEU . 24.4 t -56.31 -54.9 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.085 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.475 ' HE ' ' NE2' ' A' ' 99' ' ' GLN . 12.1 ttt-85 -56.53 -48.77 76.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.582 HD23 ' HB2' ' A' ' 22' ' ' LYS . 41.8 mt -45.04 -51.76 9.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.513 ' HB2' HG11 ' A' ' 76' ' ' VAL . 23.4 ttt180 -62.99 -39.24 94.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -60.37 -66.32 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.475 ' NE2' ' HE ' ' A' ' 95' ' ' ARG . 32.5 mt-30 -66.18 -51.33 58.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -43.03 -35.63 2.4 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.543 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -46.32 -41.17 11.52 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.08 -42.43 89.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 0.0 111.078 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 91.5 t -57.65 -50.58 76.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 52.6 mt -70.6 -22.04 62.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -77.12 -40.23 46.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.803 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -75.74 -21.8 57.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -89.68 -30.28 18.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -58.67 -46.65 86.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -56.06 -33.76 65.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 112' ' ' GLU . 8.3 mt-30 -67.51 -64.2 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -40.56 -25.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 110' ' ' GLN . 14.8 mt-10 -87.26 -43.37 12.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 23.1 pttt -60.46 -23.25 64.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 21.4 mmt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.861 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.555 ' O ' HD12 ' A' ' 10' ' ' ILE . 1.3 m . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.904 0.383 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.39 -50.63 2.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.521 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.548 ' CZ ' HD11 ' A' ' 12' ' ' LEU . 66.8 t80 -53.15 -47.29 68.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.901 0.381 . . . . 0.0 110.916 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.5 mt -50.58 -51.47 47.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.594 HD12 ' H ' ' A' ' 10' ' ' ILE . 4.7 mp -53.94 -48.36 63.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.7 tp -53.61 -36.72 62.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.548 HD11 ' CZ ' ' A' ' 8' ' ' PHE . 9.9 mp -74.48 -44.78 49.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.405 ' HG2' HD21 ' A' ' 57' ' ' LEU . 80.3 mtt180 -61.08 -46.43 90.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -35.63 74.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.3 m -68.64 -45.41 71.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.437 HD13 ' SD ' ' A' ' 53' ' ' MET . 22.2 tp -53.2 -37.44 61.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.968 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -70.05 -47.57 61.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -48.57 -39.68 24.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.852 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.7 mt -65.85 -50.91 62.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -45.85 -43.73 13.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -42.22 -45.36 4.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.425 ' HB2' HD23 ' A' ' 96' ' ' LEU . 72.3 mmtt -59.98 -40.63 89.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -74.32 103.58 4.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.9 p -90.33 -34.14 15.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.89 -15.08 81.27 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.489 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 m120 58.68 35.09 24.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.789 0.328 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 88.0 mt -68.66 -38.87 79.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -92.69 -10.43 37.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 t -56.69 -13.94 2.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.846 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -141.6 152.27 62.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.657 0.742 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 137.08 34.47 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.641 2.227 . . . . 0.0 112.365 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 72.8 t -63.49 123.77 82.18 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.66 0.743 . . . . 0.0 111.113 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 136.16 32.1 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.663 2.242 . . . . 0.0 112.369 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 41.3 mt -72.97 -28.36 62.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.3 t -45.54 -43.08 11.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.83 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -90.34 -31.81 16.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.6 t -114.92 86.42 13.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.657 0.741 . . . . 0.0 111.099 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -19.93 35.28 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.344 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -116.04 32.95 5.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -60.21 -59.41 5.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.968 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 25.0 mt -64.99 -32.1 73.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -45.7 -39.24 7.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -99.91 -32.04 11.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.0 mm -101.75 120.15 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.164 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.56 -41.15 24.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -128.71 86.5 57.4 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.516 0.674 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 110.04 2.45 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.64 2.227 . . . . 0.0 112.339 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 47.3 tpp -113.34 155.51 25.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -160.06 176.82 11.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -63.88 -39.76 94.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -72.66 -51.62 18.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.6 m -56.73 -57.34 12.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.437 ' SD ' HD13 ' A' ' 16' ' ' LEU . 19.4 ptm -48.31 -43.37 33.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.406 ' C ' ' CD ' ' A' ' 54' ' ' LYS . 1.0 OUTLIER -55.72 -60.09 3.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.887 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 45.9 mm-40 -40.67 -44.84 2.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -69.39 -40.53 77.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.614 HD23 ' N ' ' A' ' 58' ' ' GLU . 2.7 tt -61.98 -51.75 66.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.614 ' N ' HD23 ' A' ' 57' ' ' LEU . 3.3 pt-20 -67.17 -18.95 65.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.71 7.68 29.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.13 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 62.42 46.34 5.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.4 mtt-85 -100.66 -25.48 14.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.481 ' CZ ' ' OD2' ' A' ' 71' ' ' ASP . 22.7 m-85 -102.89 101.39 11.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.449 ' C ' ' CE2' ' A' ' 8' ' ' PHE . 6.9 mt -101.65 -24.58 14.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -118.91 135.7 54.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 66' ' ' ASP . 12.2 t80 -43.11 -57.89 2.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 65' ' ' PHE . 5.7 m-20 -35.16 -44.77 0.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -64.6 -53.76 42.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.414 ' CG ' ' HG ' ' A' ' 12' ' ' LEU . 84.6 t80 -56.3 -34.88 66.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -72.3 -47.58 48.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -44.59 -55.76 4.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.481 ' OD2' ' CZ ' ' A' ' 62' ' ' TYR . 2.5 m-20 -47.62 -58.32 4.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -48.31 -53.24 18.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -44.55 -52.71 7.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 63.6 mt -52.6 -50.75 62.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.0 mt -41.32 -35.47 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.702 HG11 ' HB2' ' A' ' 97' ' ' ARG . 48.5 t -91.19 -47.57 14.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 80' ' ' LEU . 4.8 t -55.07 -70.3 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -40.01 -34.83 0.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 7.3 t -78.88 -35.98 42.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.678 HD12 HG12 ' A' ' 76' ' ' VAL . 78.6 mt -82.44 -8.05 59.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.83 -31.78 9.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -75.96 -52.95 9.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.484 ' HB3' HG21 ' A' ' 87' ' ' THR . 41.3 m-80 -107.51 -177.95 3.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.473 ' HA ' ' CE2' ' A' ' 90' ' ' TYR . . . -122.76 161.88 23.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.073 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.478 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 78.2 mttt -39.85 -30.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -55.62 -46.61 77.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.484 HG21 ' HB3' ' A' ' 83' ' ' ASN . 80.2 p -67.27 170.35 7.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.16 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.512 HG22 ' N ' ' A' ' 89' ' ' PHE . 4.9 mt -82.24 -64.03 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.131 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.512 ' N ' HG22 ' A' ' 88' ' ' ILE . 0.7 OUTLIER -38.6 -26.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.664 ' CE1' ' CD2' ' A' ' 80' ' ' LEU . 4.6 t80 -71.08 -64.08 0.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 60.2 mtt-85 -52.66 -37.37 58.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.33 -40.93 96.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.603 ' HB1' HG13 ' A' ' 76' ' ' VAL . . . -68.13 -39.64 82.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.491 HG23 HD21 ' A' ' 80' ' ' LEU . 15.0 t -52.47 -49.56 42.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -58.99 -54.47 46.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.425 HD23 ' HB2' ' A' ' 22' ' ' LYS . 76.2 mt -48.71 -42.08 33.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.702 ' HB2' HG11 ' A' ' 76' ' ' VAL . 55.2 ttt85 -66.25 -35.7 81.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -75.91 -66.19 0.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -62.55 -53.05 60.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -44.29 -40.21 5.89 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -43.49 -35.61 2.93 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.413 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.67 -35.01 78.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.843 0.354 . . . . 0.0 111.064 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 59.8 t -71.04 -36.33 62.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.071 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 89.8 mt -80.51 -26.78 37.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.812 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.8 mtp85 -78.28 -38.47 42.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.845 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.8 -22.7 56.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -89.36 -36.21 15.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.07 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -51.24 -45.86 62.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -57.68 -34.45 69.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -67.45 -55.08 15.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -52.77 -17.62 1.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -97.06 -39.82 9.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 10.2 pttp -61.26 -21.06 63.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.938 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 11.6 mmt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 179.836 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.558 ' O ' HD12 ' A' ' 10' ' ' ILE . 13.4 p . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.93 0.395 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.491 ' HA2' HD13 ' A' ' 10' ' ' ILE . . . -39.75 -43.46 2.34 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.482 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.46 ' CZ ' HD11 ' A' ' 12' ' ' LEU . 46.9 t80 -61.54 -43.28 99.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.889 0.376 . . . . 0.0 110.858 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 76.4 mt -53.29 -41.95 66.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.578 HD12 ' H ' ' A' ' 10' ' ' ILE . 4.7 mp -62.22 -43.57 98.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.511 ' CD2' ' HB2' ' A' ' 111' ' ' ALA . 44.4 tp -52.83 -39.02 62.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.46 HD11 ' CZ ' ' A' ' 8' ' ' PHE . 8.1 mp -70.36 -50.75 35.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.537 ' HG2' HD21 ' A' ' 57' ' ' LEU . 81.4 mtt180 -51.82 -42.21 62.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.42 ' C ' ' HD2' ' A' ' 14' ' ' LYS . 1.0 OUTLIER -71.13 -40.39 71.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 53.0 m -62.84 -54.01 45.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.108 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.6 tp -45.57 -46.81 14.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -60.09 -41.24 92.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -61.23 -40.02 92.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.707 HD22 ' CE1' ' A' ' 72' ' ' PHE . 44.2 mt -66.39 -45.92 78.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 23' ' ' ASP . 6.4 mm-40 -54.56 -46.86 73.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 20' ' ' GLN . 17.6 mt-10 -37.27 -48.09 0.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt -54.35 -43.25 71.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 53.1 t0 -58.67 114.6 2.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.3 p -104.39 -42.43 5.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.99 11.32 48.88 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.466 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.477 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 8.7 p-10 40.1 33.42 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 110.916 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 80.1 mt -72.87 -37.78 55.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.166 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -99.56 -17.25 17.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 t -55.11 -17.37 3.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -131.1 152.44 80.65 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.668 0.746 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 137.69 36.0 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.674 2.249 . . . . 0.0 112.304 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.7 t -59.19 114.61 9.6 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.687 0.756 . . . . 0.0 111.143 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 119.85 6.73 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.744 2.296 . . . . 0.0 112.311 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.36 -31.7 71.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.9 t -43.15 -39.93 3.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -94.71 -31.61 13.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.447 ' CG1' ' OH ' ' A' ' 82' ' ' TYR . 2.1 t -112.25 86.87 8.4 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.617 0.722 . . . . 0.0 111.065 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -18.47 36.96 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.638 2.226 . . . . 0.0 112.38 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -119.43 34.93 5.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -57.85 -55.81 30.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.466 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 26.8 mt -69.41 -42.37 75.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.96 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 41' ' ' LEU . 3.8 m-20 -34.41 -39.82 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -99.63 -32.6 11.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.8 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.0 mm -103.73 122.55 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.2 -49.16 10.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.576 ' HD2' HD13 ' A' ' 74' ' ' LEU . 0.8 OUTLIER -115.2 86.73 14.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.614 0.721 . . . . 0.0 110.818 179.862 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.466 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 54.3 Cg_endo -69.78 143.79 51.85 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.75 2.3 . . . . 0.0 112.326 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.411 ' CE ' ' HE3' ' A' ' 46' ' ' LYS . 34.3 tpp -148.29 164.17 34.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -164.36 172.12 13.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -67.93 -25.12 65.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.478 ' C ' ' CD1' ' A' ' 51' ' ' PHE . 1.4 t80 -90.85 -35.3 14.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 42.6 m -61.86 -53.9 49.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.176 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 8.0 ptm -55.43 -42.75 74.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.01 -50.22 58.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -53.33 -54.76 31.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.973 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -56.82 -45.33 82.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.537 HD21 ' HG2' ' A' ' 13' ' ' ARG . 3.4 tt -57.22 -44.22 83.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.411 ' N ' HD23 ' A' ' 57' ' ' LEU . 13.8 mm-40 -68.06 -17.89 64.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.46 15.42 23.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.155 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 56.51 44.16 24.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -91.82 -27.71 17.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.514 ' CE1' ' OD2' ' A' ' 71' ' ' ASP . 27.1 m-85 -101.71 97.96 8.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.998 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.7 mt -97.02 -27.66 14.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -115.15 128.66 56.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.411 ' CE2' ' HD3' ' A' ' 108' ' ' ARG . 64.0 t80 -38.97 -53.74 1.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 65' ' ' PHE . 9.4 t70 -37.84 -48.5 1.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -59.65 -55.69 31.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.805 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.46 ' CD2' ' HG ' ' A' ' 12' ' ' LEU . 19.9 t80 -55.4 -24.44 30.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -83.35 -44.63 14.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -47.1 -52.86 14.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.514 ' OD2' ' CE1' ' A' ' 62' ' ' TYR . 19.0 m-20 -49.01 -63.08 1.2 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.707 ' CE1' HD22 ' A' ' 19' ' ' LEU . 57.5 t80 -42.54 -46.69 4.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -53.99 -43.13 69.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.849 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.576 HD13 ' HD2' ' A' ' 46' ' ' LYS . 50.4 mt -63.17 -44.89 94.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.408 HD12 ' HA ' ' A' ' 72' ' ' PHE . 98.9 mt -48.56 -33.8 5.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.654 HG11 ' HB2' ' A' ' 97' ' ' ARG . 93.6 t -89.62 -43.19 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.13 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 79' ' ' CYS . 1.2 t -62.31 -70.43 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.795 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.437 ' ND2' ' HB3' ' A' ' 74' ' ' LEU . 89.7 m-20 -36.18 -32.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 77' ' ' SER . 3.6 t -80.57 -47.48 14.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.597 HD12 HG12 ' A' ' 76' ' ' VAL . 42.4 mt -63.7 -20.26 65.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.8 tttt -91.29 -44.32 9.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.447 ' OH ' ' CG1' ' A' ' 37' ' ' VAL . 4.8 t80 -59.43 -63.19 1.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.638 ' HB3' HG21 ' A' ' 87' ' ' THR . 1.1 m-80 -100.41 -178.83 3.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.629 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -122.68 162.05 22.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.056 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.57 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 72.9 mttt -37.48 -37.91 0.22 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -50.26 -48.27 54.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.824 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.638 HG21 ' HB3' ' A' ' 83' ' ' ASN . 44.0 p -66.89 165.5 15.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.109 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.52 HG22 ' N ' ' A' ' 89' ' ' PHE . 1.8 mt -77.1 -62.18 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.52 ' N ' HG22 ' A' ' 88' ' ' ILE . 0.6 OUTLIER -38.53 -26.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.846 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.629 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 3.6 t80 -71.77 -58.34 3.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 31.4 mtt-85 -58.69 -37.68 76.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.77 -36.98 86.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.18 -39.75 75.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 25.5 t -55.2 -35.71 37.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.153 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 5.6 ttp-105 -67.17 -54.4 21.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 96.4 mt -49.23 -47.37 46.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.654 ' HB2' HG11 ' A' ' 76' ' ' VAL . 43.5 ttt180 -62.64 -34.65 77.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -76.01 -67.69 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -63.33 -50.09 71.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 103' ' ' VAL . . . -41.96 -45.54 4.89 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.529 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -37.36 -48.32 1.61 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.443 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.63 -42.59 79.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.777 0.322 . . . . 0.0 111.096 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 100' ' ' GLY . 78.6 t -63.15 -40.0 87.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.11 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 79.6 mt -77.33 -26.53 52.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.6 mtt85 -76.22 -43.11 43.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.844 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -69.85 -26.8 64.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.858 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -90.81 -26.2 19.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.084 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.411 ' HD3' ' CE2' ' A' ' 65' ' ' PHE . 10.0 tpt180 -59.23 -48.76 80.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -56.6 -33.82 66.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -66.25 -55.34 16.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.511 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . . . -55.58 -14.0 1.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.059 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -103.77 -34.74 8.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -66.2 -20.48 66.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 10.1 mmt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.858 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.937 0.398 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -40.11 -51.47 3.5 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.512 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.474 ' O ' HD13 ' A' ' 12' ' ' LEU . 57.5 t80 -53.41 -35.84 60.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.89 0.376 . . . . 0.0 110.79 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.5 mt -61.26 -46.67 89.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.98 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.615 HD12 ' H ' ' A' ' 10' ' ' ILE . 4.3 mp -61.45 -33.84 58.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.06 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.66 -31.09 71.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.698 ' HB3' HD12 ' A' ' 57' ' ' LEU . 10.5 mp -76.14 -54.36 6.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.75 ' HG2' HD21 ' A' ' 57' ' ' LEU . 89.0 mtt180 -50.83 -40.36 55.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.827 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.46 ' HD2' ' N ' ' A' ' 15' ' ' THR . 0.6 OUTLIER -75.2 -45.13 42.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.46 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 27.5 m -60.01 -34.35 73.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.156 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.626 HD23 ' HD3' ' A' ' 54' ' ' LYS . 54.5 tp -62.74 -41.29 99.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -62.78 -46.34 88.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -54.71 -35.6 63.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.404 ' HG ' HG11 ' A' ' 103' ' ' VAL . 67.4 mt -71.36 -39.62 71.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 21' ' ' GLU . 9.2 mt-30 -55.44 -48.2 74.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 20' ' ' GLN . 12.2 mm-40 -36.33 -49.94 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.44 ' HD2' ' CB ' ' A' ' 99' ' ' GLN . 24.8 mmtm -49.29 -46.37 46.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 59.9 t0 -54.89 118.89 4.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.822 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.4 p -105.6 -48.06 3.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.64 9.09 45.19 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.472 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 4.8 p-10 40.56 33.73 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.832 0.349 . . . . 0.0 110.855 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.694 HG21 ' HD1' ' A' ' 89' ' ' PHE . 74.2 mt -71.57 -37.31 63.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.426 ' O ' ' N ' ' A' ' 30' ' ' GLU . 0.5 OUTLIER -96.02 -23.11 16.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -42.32 -24.19 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.901 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 28' ' ' PHE . 12.0 mt-10 -129.75 151.57 78.35 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.678 0.751 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 134.87 29.01 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.591 2.194 . . . . 0.0 112.364 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 83.4 t -56.76 119.84 32.82 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.635 0.731 . . . . 0.0 111.126 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.65 127.73 15.11 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.669 2.246 . . . . 0.0 112.413 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 69.2 mt -69.23 -31.32 69.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.9 t -44.01 -39.88 4.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -95.82 -28.23 14.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.5 t -115.75 84.55 12.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.595 0.712 . . . . 0.0 111.147 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -18.01 37.23 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.692 2.261 . . . . 0.0 112.328 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -117.34 32.57 6.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.48 ' CE2' ' HB3' ' A' ' 47' ' ' PRO . 22.4 t80 -57.57 -45.37 85.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.442 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 11.0 mt -79.44 -30.42 42.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -40.23 -38.17 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 46.7 m-70 -109.1 -31.15 7.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.438 HG23 ' OD1' ' A' ' 78' ' ' ASN . 19.0 mm -95.02 100.91 11.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -59.89 -46.41 89.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.4 ' HA ' ' HD2' ' A' ' 47' ' ' PRO . 40.1 tttt -132.24 91.91 30.26 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.611 0.719 . . . . 0.0 110.914 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.48 ' HB3' ' CE2' ' A' ' 40' ' ' TYR . 53.4 Cg_endo -69.76 140.05 41.73 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.593 2.195 . . . . 0.0 112.363 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 27.6 tpp -141.27 155.74 45.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -153.23 177.99 10.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.914 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -70.24 -32.93 71.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.449 ' C ' ' CD1' ' A' ' 51' ' ' PHE . 1.1 t80 -87.66 -38.99 15.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.5 m -57.82 -53.42 58.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.19 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 15.5 ptm -55.38 -42.33 73.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.626 ' HD3' HD23 ' A' ' 16' ' ' LEU . 8.6 tptm -53.86 -48.84 69.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -51.45 -48.39 62.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -65.98 -37.89 87.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.75 HD21 ' HG2' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -61.43 -43.74 98.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.692 ' N ' HD23 ' A' ' 57' ' ' LEU . 36.6 mt-10 -72.18 -12.98 61.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.09 12.5 30.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.064 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 59.64 41.42 18.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.979 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.6 mtt85 -91.92 -32.46 15.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.412 ' CZ ' ' OD2' ' A' ' 71' ' ' ASP . 23.5 m-85 -100.33 102.82 14.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.964 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.7 mt -99.24 -27.16 13.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -117.59 145.57 44.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -52.87 -53.88 42.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -38.67 -36.49 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -73.71 -55.46 6.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.478 ' CG ' ' HG ' ' A' ' 12' ' ' LEU . 83.1 t80 -53.14 -31.71 43.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -79.24 -43.55 23.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.835 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -46.55 -43.23 16.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.412 ' OD2' ' CZ ' ' A' ' 62' ' ' TYR . 4.0 m-20 -61.1 -60.35 3.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -43.73 -42.45 5.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -56.45 -46.48 80.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.462 ' HB3' ' ND2' ' A' ' 78' ' ' ASN . 34.4 mt -52.23 -58.33 6.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.426 ' C ' ' O ' ' A' ' 74' ' ' LEU . 48.9 mt -35.84 -48.07 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.472 HG11 ' HB2' ' A' ' 97' ' ' ARG . 48.2 t -71.63 -49.14 48.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 80' ' ' LEU . 5.4 t -60.55 -67.8 0.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.462 ' ND2' ' HB3' ' A' ' 74' ' ' LEU . 89.7 m-20 -38.11 -35.69 0.17 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.5 t -78.13 -40.47 37.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.918 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 77' ' ' SER . 85.6 mt -72.34 -12.05 60.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -100.57 -40.86 7.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -73.77 -41.16 62.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.484 ' ND2' ' HB2' ' A' ' 89' ' ' PHE . 69.7 m-80 -94.0 -174.49 3.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.933 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -121.47 -174.98 2.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.073 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.526 ' HD3' ' CZ ' ' A' ' 90' ' ' TYR . 8.3 mmtp -75.51 -20.66 58.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -102.99 45.84 0.94 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 20.7 p -135.59 164.46 27.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.193 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 90' ' ' TYR . 8.9 mt -76.49 -66.39 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.178 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.694 ' HD1' HG21 ' A' ' 27' ' ' ILE . 5.6 m-85 -38.29 -26.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.526 ' CZ ' ' HD3' ' A' ' 85' ' ' LYS . 2.7 t80 -72.5 -55.88 6.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 -60.0 -36.7 77.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.33 -37.73 88.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.14 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.06 -37.94 64.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.1 t -54.59 -49.22 68.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.151 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -60.46 -40.83 92.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.415 HD23 ' HB2' ' A' ' 22' ' ' LYS . 20.3 mt -57.94 -44.72 87.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.472 ' HB2' HG11 ' A' ' 76' ' ' VAL . 59.1 ttt-85 -65.79 -39.69 91.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -68.44 -63.69 1.01 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.44 ' CB ' ' HD2' ' A' ' 22' ' ' LYS . 48.0 mt-30 -66.09 -50.6 63.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -39.05 -43.32 1.79 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.458 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -43.24 -41.34 4.94 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.477 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.6 -42.34 98.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.839 0.352 . . . . 0.0 111.121 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.404 HG11 ' HG ' ' A' ' 19' ' ' LEU . 96.1 t -67.11 -41.27 86.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 56.7 mt -73.49 -35.51 65.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.5 mtt85 -69.89 -46.52 65.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -62.28 -30.97 71.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.958 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -85.97 -27.49 24.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -58.14 -51.3 70.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -50.99 -33.42 24.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -70.93 -51.62 24.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.24 -13.99 6.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.12 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -100.52 -44.15 5.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.9 pttp -55.39 -24.07 27.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 8.5 mmt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.87 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 9' ' ' LEU . 13.1 m . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.94 0.4 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -34.37 -51.43 0.73 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.531 ' CE2' ' O ' ' A' ' 63' ' ' LEU . 53.3 t80 -54.6 -42.76 71.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.92 0.39 . . . . 0.0 110.875 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 6' ' ' SER . 24.6 mt -54.85 -50.42 68.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.941 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.458 HD12 ' H ' ' A' ' 10' ' ' ILE . 3.5 mp -52.95 -42.53 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.454 HD23 ' HB2' ' A' ' 111' ' ' ALA . 43.1 tp -54.97 -38.46 67.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.65 ' HB3' HD12 ' A' ' 57' ' ' LEU . 10.0 mp -70.91 -44.51 66.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.628 ' HG2' HD21 ' A' ' 57' ' ' LEU . 61.6 mtt-85 -61.37 -48.29 81.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -36.05 73.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.4 m -69.43 -39.12 78.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.563 HD23 ' HD3' ' A' ' 54' ' ' LYS . 27.3 tp -55.17 -39.8 69.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -68.46 -49.56 58.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.434 ' HB2' HG11 ' A' ' 103' ' ' VAL . 31.7 mt-30 -44.16 -42.04 6.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.593 HD13 ' CD2' ' A' ' 72' ' ' PHE . 38.5 mt -65.23 -50.21 66.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -45.15 -40.36 7.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -48.09 -44.82 32.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.52 ' HB2' HD23 ' A' ' 96' ' ' LEU . 26.3 mmtm -60.38 -37.93 82.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.426 ' HB2' HD21 ' A' ' 96' ' ' LEU . 43.8 t0 -73.28 79.28 1.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 65.2 p -64.39 -38.18 90.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.08 -9.01 87.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.469 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 26' ' ' ASN . 1.5 p-10 45.49 34.16 1.54 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.771 0.319 . . . . 0.0 110.848 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.49 HG21 ' HD1' ' A' ' 89' ' ' PHE . 80.1 mt -70.23 -36.61 68.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.084 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -94.7 -5.25 45.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -58.77 -12.85 4.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -138.23 152.26 71.26 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.609 0.718 . . . . 0.0 110.919 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 135.15 29.78 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.643 2.229 . . . . 0.0 112.325 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 81.0 t -61.44 123.88 78.39 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.625 0.726 . . . . 0.0 111.094 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 136.11 31.96 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.646 2.23 . . . . 0.0 112.327 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.3 mt -70.94 -27.73 63.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.5 t -45.13 -45.49 11.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.805 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -89.42 -31.47 17.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.4 t -114.5 86.23 12.16 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.601 0.715 . . . . 0.0 111.145 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -19.26 36.52 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.715 2.277 . . . . 0.0 112.319 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.1 33.51 5.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.511 ' CE2' ' HB3' ' A' ' 47' ' ' PRO . 33.1 t80 -60.12 -57.26 13.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.447 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 24.0 mt -65.16 -41.04 95.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.004 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -39.57 -43.81 1.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.818 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -97.24 -37.64 10.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.7 mm -96.62 99.89 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.5 mmtt -60.56 -52.64 64.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.436 ' HE2' ' CD1' ' A' ' 74' ' ' LEU . 44.1 tttt -117.81 87.88 28.68 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.618 0.723 . . . . 0.0 110.87 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.511 ' HB3' ' CE2' ' A' ' 40' ' ' TYR . 53.5 Cg_endo -69.84 101.53 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.693 2.262 . . . . 0.0 112.264 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 43.5 tpp -98.24 154.88 17.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -154.9 164.77 38.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -59.45 -36.27 75.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.829 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -85.49 -36.76 20.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 62.4 m -62.67 -43.86 97.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.508 ' SD ' HD13 ' A' ' 16' ' ' LEU . 18.0 ptm -62.58 -39.56 94.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.563 ' HD3' HD23 ' A' ' 16' ' ' LEU . 14.3 tptp -59.52 -46.17 89.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.939 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -53.51 -50.53 65.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -62.86 -35.75 81.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.65 HD12 ' HB3' ' A' ' 12' ' ' LEU . 0.4 OUTLIER -65.49 -45.16 84.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.949 179.891 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.621 ' N ' HD23 ' A' ' 57' ' ' LEU . 14.4 mt-10 -66.78 -13.87 61.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.69 8.81 44.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.083 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 62.28 44.16 7.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.845 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.5 mtt-85 -94.88 -24.77 16.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -105.66 103.68 13.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.963 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.531 ' O ' ' CE2' ' A' ' 8' ' ' PHE . 8.2 mt -101.08 -28.28 12.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -115.2 147.03 40.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -55.18 -50.65 68.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -43.24 -35.47 1.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -72.99 -57.82 3.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.495 ' CG ' ' HG ' ' A' ' 12' ' ' LEU . 64.1 t80 -53.01 -34.52 56.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -73.1 -50.5 22.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -40.66 -51.14 3.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.96 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.22 -59.53 4.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.593 ' CD2' HD13 ' A' ' 19' ' ' LEU . 34.8 t80 -46.08 -45.05 16.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -54.49 -46.15 73.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.964 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.436 ' CD1' ' HE2' ' A' ' 46' ' ' LYS . 29.4 mt -54.37 -59.7 4.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.838 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 74' ' ' LEU . 66.7 mt -36.12 -35.23 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.16 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.574 HG12 HD12 ' A' ' 80' ' ' LEU . 70.2 t -86.59 -48.28 15.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 80' ' ' LEU . 1.7 t -61.92 -66.54 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.808 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 77' ' ' SER . 95.2 m-20 -37.6 -32.91 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.403 ' N ' ' O ' ' A' ' 77' ' ' SER . 11.9 t -80.83 -42.59 21.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.574 HD12 HG12 ' A' ' 76' ' ' VAL . 19.0 mt -74.34 -10.13 59.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.4 ptmm? -101.14 -25.28 14.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.863 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -84.3 -50.28 7.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -109.33 -175.0 2.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.508 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -127.0 159.26 34.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.076 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.56 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 20.7 mttp -35.87 -35.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 84' ' ' ALA . 8.3 t70 -49.59 -49.28 47.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 82.3 p -67.15 172.69 4.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.16 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.514 ' O ' ' N ' ' A' ' 90' ' ' TYR . 7.4 mt -84.17 -64.34 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.21 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.49 ' HD1' HG21 ' A' ' 27' ' ' ILE . 0.7 OUTLIER -37.92 -26.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.56 ' CD1' ' HA ' ' A' ' 85' ' ' LYS . 3.2 t80 -70.48 -56.44 6.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.6 mtp85 -58.02 -48.13 81.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.86 -44.78 70.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.136 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.403 ' HB1' HG13 ' A' ' 76' ' ' VAL . . . -59.61 -41.4 90.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.9 t -56.02 -46.69 80.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.169 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -61.96 -51.58 67.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.52 HD23 ' HB2' ' A' ' 22' ' ' LYS . 13.9 mt -50.74 -43.23 58.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.453 ' HB2' HG11 ' A' ' 76' ' ' VAL . 46.1 ttt85 -63.27 -38.83 92.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -72.0 -60.16 2.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -64.71 -57.14 9.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -44.08 -34.27 3.08 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.454 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -48.62 -38.49 21.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.509 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.45 -37.31 84.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.33 . . . . 0.0 111.062 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.47 ' HB ' HD23 ' A' ' 19' ' ' LEU . 57.6 t -69.1 -36.51 73.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 82.5 mt -82.08 -25.74 34.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.955 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 -79.53 -32.56 42.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.418 ' HA ' ' NE ' ' A' ' 109' ' ' ARG . 7.7 pt20 -82.32 -22.43 35.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -92.76 -22.76 19.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 44.1 ttt-85 -59.7 -50.74 72.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.418 ' NE ' ' HA ' ' A' ' 106' ' ' GLN . 15.0 ptp180 -53.7 -33.75 56.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -64.52 -61.26 2.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.454 ' HB2' HD23 ' A' ' 11' ' ' LEU . . . -49.81 -17.99 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.166 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -91.87 -38.67 12.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 15.2 pttm -66.25 -27.51 68.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 11.3 mmt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 179.941 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.877 0.37 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.471 ' HA2' HD13 ' A' ' 10' ' ' ILE . . . -39.56 -47.55 2.97 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.439 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.466 ' CE2' ' O ' ' A' ' 63' ' ' LEU . 75.4 t80 -54.04 -39.9 66.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.932 0.396 . . . . 0.0 110.898 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.495 ' CD1' ' CE2' ' A' ' 60' ' ' TYR . 74.4 mt -57.57 -36.96 72.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.471 HD13 ' HA2' ' A' ' 7' ' ' GLY . 3.6 mp -67.18 -40.71 85.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.558 ' CD2' ' HB2' ' A' ' 111' ' ' ALA . 27.5 tp -53.58 -39.41 64.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.75 ' HB3' HD12 ' A' ' 57' ' ' LEU . 3.0 mp -69.61 -47.19 64.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.794 ' HG2' HD21 ' A' ' 57' ' ' LEU . 13.7 mtp-105 -57.53 -37.93 73.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -77.29 -39.58 47.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.0 m -64.49 -44.24 91.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.661 HD13 ' SD ' ' A' ' 53' ' ' MET . 26.9 tp -53.67 -38.89 64.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -66.34 -43.09 87.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -57.64 -32.9 67.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.938 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.481 HD22 ' CE1' ' A' ' 72' ' ' PHE . 57.0 mt -69.99 -43.35 71.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -56.21 -37.36 69.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.97 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -43.71 -36.68 2.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -75.08 -35.86 61.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -66.88 114.21 5.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.958 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 47.8 p -117.77 -28.27 6.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.0 3.15 86.52 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.509 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 41.87 44.91 3.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.759 0.314 . . . . 0.0 110.881 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.492 HG21 ' CD1' ' A' ' 89' ' ' PHE . 77.0 mt -91.63 -36.15 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -99.31 -18.79 17.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.845 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -50.09 -18.89 0.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -134.11 152.1 77.76 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.703 0.763 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 130.43 19.26 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.712 2.275 . . . . 0.0 112.338 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.9 t -51.41 121.79 18.0 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.617 0.722 . . . . 0.0 111.104 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 137.39 35.39 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.69 2.26 . . . . 0.0 112.314 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 70.5 mt -74.28 -21.98 59.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.1 t -51.78 -43.85 63.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -91.98 -28.04 17.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.4 t -117.53 87.39 25.43 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.657 0.741 . . . . 0.0 111.11 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -25.37 28.29 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.637 2.225 . . . . 0.0 112.303 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -111.56 32.39 5.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.926 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -55.85 -55.51 31.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.956 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.465 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 36.5 mt -69.34 -39.44 78.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.936 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -39.8 -33.75 0.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -106.42 -32.36 8.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.534 HG23 ' OD1' ' A' ' 78' ' ' ASN . 35.9 mm -100.14 116.56 43.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.078 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -75.55 -46.66 30.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.43 ' HG2' HD13 ' A' ' 74' ' ' LEU . 48.3 tttp -124.27 87.23 53.96 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.588 0.708 . . . . 0.0 110.89 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.465 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 53.6 Cg_endo -69.77 114.93 3.87 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.643 2.229 . . . . 0.0 112.424 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.412 ' O ' ' CG ' ' A' ' 49' ' ' ASP . 46.5 tpp -112.95 163.21 14.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.781 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.412 ' CG ' ' O ' ' A' ' 48' ' ' MET . 5.7 m-20 -161.12 172.64 16.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -66.6 -35.09 79.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -84.61 -42.83 15.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.8 m -58.83 -52.32 66.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.661 ' SD ' HD13 ' A' ' 16' ' ' LEU . 21.4 ptm -53.84 -44.96 70.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.439 ' N ' ' HG3' ' A' ' 53' ' ' MET . 12.6 tptm -54.01 -52.56 60.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -47.0 -51.56 16.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -62.87 -34.87 78.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.794 HD21 ' HG2' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -64.7 -42.71 95.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.694 ' N ' HD23 ' A' ' 57' ' ' LEU . 32.7 mt-10 -77.46 -12.6 59.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.01 9.18 36.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.082 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.495 ' CE2' ' CD1' ' A' ' 9' ' ' LEU . 92.3 m-85 62.08 44.16 8.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.8 mtt-85 -99.81 -25.03 14.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.536 ' CZ ' ' OD2' ' A' ' 71' ' ' ASP . 17.2 m-85 -105.27 101.83 11.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.466 ' O ' ' CE2' ' A' ' 8' ' ' PHE . 8.6 mt -99.84 -28.58 13.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -114.68 149.81 36.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.936 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.498 ' CD2' ' HG3' ' A' ' 108' ' ' ARG . 22.4 t80 -56.54 -41.26 76.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -51.76 -36.09 46.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -67.96 -60.93 2.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.493 ' CD2' ' HG ' ' A' ' 12' ' ' LEU . 21.1 t80 -54.07 -36.73 63.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -66.55 -47.21 73.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -49.65 -50.29 43.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.536 ' OD2' ' CZ ' ' A' ' 62' ' ' TYR . 4.2 m-20 -50.3 -64.37 0.83 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.64 ' CD2' HD11 ' A' ' 104' ' ' LEU . 15.2 t80 -45.38 -49.16 13.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -48.51 -49.44 35.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.953 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.43 HD13 ' HG2' ' A' ' 46' ' ' LYS . 41.4 mt -54.01 -52.01 62.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.937 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 75.5 mt -40.14 -37.79 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.643 HG11 ' HB2' ' A' ' 97' ' ' ARG . 60.1 t -87.57 -48.42 15.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.145 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 80' ' ' LEU . 19.0 m -57.01 -68.04 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.534 ' OD1' HG23 ' A' ' 44' ' ' ILE . 76.6 m-20 -34.49 -36.23 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 77' ' ' SER . 35.6 t -77.42 -47.67 19.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 77' ' ' SER . 66.5 mt -69.17 -10.59 58.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.936 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -104.34 -29.46 10.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -85.52 -51.52 6.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -104.59 178.62 4.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.64 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -117.83 -178.77 3.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.404 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 78.4 mttt -63.01 -23.36 67.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -63.15 -39.0 93.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 80.6 p -73.73 164.7 26.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.16 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 90' ' ' TYR . 4.5 mt -78.01 -63.37 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.11 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.505 ' N ' HG22 ' A' ' 88' ' ' ILE . 0.7 OUTLIER -38.29 -26.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.64 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 3.4 t80 -72.78 -58.63 3.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -59.52 -28.03 66.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.4 -39.09 62.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.112 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.566 ' HB1' HG13 ' A' ' 76' ' ' VAL . . . -68.04 -36.58 80.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.065 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.6 t -54.82 -56.93 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.167 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -51.85 -50.33 61.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 100' ' ' GLY . 29.1 mt -50.87 -50.66 56.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.643 ' HB2' HG11 ' A' ' 76' ' ' VAL . 78.6 ttt-85 -56.65 -37.61 71.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -72.7 -63.66 1.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -67.27 -55.44 13.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.906 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -44.55 -34.75 3.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.509 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -50.97 -42.0 46.52 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.37 -26.03 64.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.786 0.327 . . . . 0.0 111.084 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 71.0 t -77.13 -43.59 31.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.147 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.64 HD11 ' CD2' ' A' ' 72' ' ' PHE . 50.2 mt -73.1 -34.02 65.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 66.0 mtt180 -73.86 -34.64 64.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -80.52 -18.41 48.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -92.08 -29.82 16.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.081 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.498 ' HG3' ' CD2' ' A' ' 65' ' ' PHE . 14.5 ttm180 -55.53 -46.67 77.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -55.97 -33.85 65.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -65.55 -59.4 4.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.558 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . . . -48.09 -20.01 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.089 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -92.09 -45.23 8.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.886 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.2 ptmm? -60.53 -29.43 69.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.431 ' CE ' ' HA ' ' A' ' 8' ' ' PHE . 51.1 mtt . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 9' ' ' LEU . 1.4 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.927 0.394 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -36.09 -48.43 1.1 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.439 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -56.51 -42.13 77.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.853 0.359 . . . . 0.0 110.881 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.546 HD11 ' CE2' ' A' ' 60' ' ' TYR . 17.9 mt -56.74 -38.95 73.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.7 mp -66.56 -36.92 78.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.126 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.468 HD23 ' HB2' ' A' ' 111' ' ' ALA . 62.7 tp -58.3 -34.09 70.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.804 ' HB3' HD12 ' A' ' 57' ' ' LEU . 3.4 mp -76.75 -45.85 27.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.914 ' HG2' HD21 ' A' ' 57' ' ' LEU . 50.9 mtp180 -61.17 -40.2 92.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.11 -35.83 61.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.8 m -69.16 -46.97 66.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.169 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.552 HD23 ' HD3' ' A' ' 54' ' ' LYS . 56.3 tp -46.76 -43.98 18.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -64.3 -57.04 10.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.971 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -41.42 -33.14 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.555 ' HG ' HG11 ' A' ' 103' ' ' VAL . 29.6 mt -75.13 -42.26 56.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -55.49 -45.93 76.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.468 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -40.91 -42.02 1.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.982 0.42 . . . . 0.0 110.922 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -56.79 -44.01 81.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -71.19 112.76 7.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.6 p -97.03 -31.71 12.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.147 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.35 -11.01 82.79 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.542 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 m120 56.24 41.3 29.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.814 0.34 . . . . 0.0 110.862 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 73.2 mt -74.57 -44.56 47.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -93.58 -15.48 25.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -48.63 -20.56 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.806 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -131.86 152.06 79.63 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.603 0.716 . . . . 0.0 110.943 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 135.89 31.66 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.72 2.28 . . . . 0.0 112.369 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 77.7 t -67.2 121.74 79.76 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.69 0.757 . . . . 0.0 111.089 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 129.47 17.56 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.703 2.269 . . . . 0.0 112.261 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 69.8 mt -64.5 -29.58 70.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.0 t -49.91 -38.72 37.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -89.85 -33.32 16.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.6 t -119.75 83.82 29.78 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.639 0.733 . . . . 0.0 111.107 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -18.28 36.78 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.7 2.267 . . . . 0.0 112.276 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -110.53 25.68 11.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.84 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -57.62 -54.61 44.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.411 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 17.6 mt -71.12 -37.61 72.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -38.45 -42.09 0.71 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 40.2 m80 -99.67 -37.05 9.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.9 mm -91.85 121.44 42.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.202 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 47.2 mmtt -79.03 -43.77 23.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.424 ' HE2' ' CD1' ' A' ' 74' ' ' LEU . 64.8 tttt -133.11 86.99 40.67 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.626 0.727 . . . . 0.0 110.945 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.411 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 53.2 Cg_endo -69.72 148.07 64.51 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.707 2.271 . . . . 0.0 112.298 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 42.7 tpp -147.48 164.1 34.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -157.2 -179.12 7.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -75.62 -26.47 57.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -91.76 -35.48 14.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.81 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.7 m -63.6 -50.7 68.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.172 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.452 ' HE3' ' OD1' ' A' ' 71' ' ' ASP . 11.0 ptm -56.63 -41.28 76.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.552 ' HD3' HD23 ' A' ' 16' ' ' LEU . 13.3 tptm -52.88 -49.89 64.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.932 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -51.01 -52.86 38.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -62.54 -38.57 90.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.914 HD21 ' HG2' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -59.8 -42.72 94.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.653 ' N ' HD23 ' A' ' 57' ' ' LEU . 27.4 mt-10 -76.1 -10.78 59.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.93 13.65 29.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.091 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.546 ' CE2' HD11 ' A' ' 9' ' ' LEU . 37.1 m-85 58.15 38.53 26.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.4 mtt180 -89.83 -24.2 21.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -103.29 93.85 5.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.1 mt -92.32 -25.6 18.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -123.26 137.58 54.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -45.47 -43.97 11.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -43.88 -34.73 1.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -73.97 -60.49 2.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.48 ' CG ' ' HG ' ' A' ' 12' ' ' LEU . 66.7 t80 -52.45 -20.65 3.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.87 -40.63 12.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.837 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -56.99 -55.17 38.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.452 ' OD1' ' HE3' ' A' ' 53' ' ' MET . 0.5 OUTLIER -50.5 -51.17 49.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.515 ' HA ' HD12 ' A' ' 75' ' ' ILE . 5.4 t80 -54.07 -41.55 68.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -60.66 -37.22 80.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.424 ' CD1' ' HE2' ' A' ' 46' ' ' LYS . 30.0 mt -62.4 -45.96 90.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.515 HD12 ' HA ' ' A' ' 72' ' ' PHE . 70.9 mt -46.63 -39.75 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.815 HG13 ' HB1' ' A' ' 93' ' ' ALA . 61.1 t -85.78 -49.06 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 78' ' ' ASN . 7.2 t -55.27 -68.94 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 77' ' ' SER . 92.3 m-20 -35.86 -37.58 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.976 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.5 t -74.69 -47.47 31.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.608 ' CD2' ' CE1' ' A' ' 90' ' ' TYR . 88.3 mt -60.99 -26.11 67.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -88.39 -34.86 17.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -73.8 -64.73 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -94.7 -178.55 4.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.55 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -122.94 159.81 27.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.547 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 19.2 mtmt -42.58 -33.04 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -54.63 -43.32 72.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.824 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 61.4 p -70.49 173.58 6.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.186 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.516 ' O ' ' N ' ' A' ' 90' ' ' TYR . 5.7 mt -83.03 -63.48 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.485 ' N ' HG22 ' A' ' 88' ' ' ILE . 0.7 OUTLIER -38.08 -26.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.907 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.608 ' CE1' ' CD2' ' A' ' 80' ' ' LEU . 3.8 t80 -73.52 -63.47 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -52.02 -41.44 62.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.53 -38.82 88.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.815 ' HB1' HG13 ' A' ' 76' ' ' VAL . . . -68.1 -40.41 82.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.9 t -54.39 -46.23 69.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -62.45 -53.67 51.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 48.7 mt -48.85 -46.61 42.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.571 ' HB2' HG11 ' A' ' 76' ' ' VAL . 46.9 ttt180 -62.45 -38.24 89.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -71.6 -65.44 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -63.9 -53.06 56.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -44.47 -30.48 2.1 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.467 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -49.63 -43.49 37.22 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.465 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.86 -27.27 69.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.343 . . . . 0.0 111.12 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.555 HG11 ' HG ' ' A' ' 19' ' ' LEU . 62.1 t -76.13 -36.9 31.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.503 HD11 ' CD1' ' A' ' 72' ' ' PHE . 68.7 mt -80.41 -29.01 37.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.41 ' HA ' ' NH1' ' A' ' 108' ' ' ARG . 58.9 mtm180 -78.18 -38.22 43.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.829 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.492 ' NE2' ' HB2' ' A' ' 107' ' ' ALA . 4.7 pp0? -72.06 -26.17 62.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.492 ' HB2' ' NE2' ' A' ' 106' ' ' GLN . . . -86.21 -42.16 14.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.41 ' NH1' ' HA ' ' A' ' 105' ' ' ARG . 7.4 ttm105 -47.94 -47.52 32.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.816 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -55.36 -34.25 64.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 112' ' ' GLU . 8.8 mt-30 -65.57 -63.87 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.937 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.468 ' HB2' HD23 ' A' ' 11' ' ' LEU . . . -41.88 -24.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.055 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 110' ' ' GLN . 19.3 mt-10 -86.97 -48.16 8.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 27.6 pttt -56.89 -28.29 61.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 6.9 mmt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.841 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 9' ' ' LEU . 15.9 p . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.868 0.366 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.09 -41.54 1.02 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.445 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.552 ' CZ ' HD11 ' A' ' 12' ' ' LEU . 76.7 t80 -62.25 -41.58 98.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.86 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.604 ' CD1' ' CE2' ' A' ' 60' ' ' TYR . 79.6 mt -57.11 -42.65 81.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.44 HD12 ' H ' ' A' ' 10' ' ' ILE . 4.0 mp -63.16 -35.0 70.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.626 HD23 ' HB2' ' A' ' 111' ' ' ALA . 67.7 tp -62.16 -37.82 86.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.745 ' HB3' HD12 ' A' ' 57' ' ' LEU . 8.7 mp -69.6 -53.93 16.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.721 ' HG2' HD21 ' A' ' 57' ' ' LEU . 61.9 mtt180 -50.93 -40.97 58.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.831 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.422 ' C ' ' HD2' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -72.25 -44.07 63.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.431 HG23 HG12 ' A' ' 103' ' ' VAL . 46.7 m -60.56 -56.67 18.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.517 HD23 ' HD3' ' A' ' 54' ' ' LYS . 58.4 tp -36.86 -45.96 0.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.904 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -57.91 -50.74 72.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.935 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -54.34 -19.8 6.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.431 HD13 ' CD2' ' A' ' 72' ' ' PHE . 45.8 mt -92.77 -35.68 13.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.5 ' HG2' ' CD1' ' A' ' 50' ' ' PHE . 21.7 mt-30 -69.32 -34.54 74.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -60.07 -40.63 90.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.429 ' HB2' HD23 ' A' ' 96' ' ' LEU . 71.0 mmtt -54.03 -32.19 53.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -81.97 81.39 7.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.83 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.4 p -62.36 -32.77 73.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.18 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.07 -22.73 73.34 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.518 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 m120 62.32 38.86 12.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.875 0.369 . . . . 0.0 110.937 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.47 HG21 ' HD1' ' A' ' 89' ' ' PHE . 59.8 mt -74.97 -42.31 45.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.12 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.415 ' HB2' ' CD2' ' A' ' 50' ' ' PHE . 1.5 m-85 -90.54 -7.44 52.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.946 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -56.35 -13.62 2.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -141.6 150.68 58.16 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.632 0.73 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 141.36 45.26 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 112.377 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.4 t -71.68 124.03 90.31 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.678 0.751 . . . . 0.0 111.146 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 126.35 13.21 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.659 2.239 . . . . 0.0 112.39 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 73.1 mt -59.8 -31.78 70.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.6 t -46.77 -37.15 8.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.843 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -90.87 -34.77 15.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.0 t -118.12 86.59 26.75 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.669 0.747 . . . . 0.0 111.07 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -18.14 37.08 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.611 2.207 . . . . 0.0 112.394 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -114.71 30.61 7.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.42 ' CE2' ' HB3' ' A' ' 47' ' ' PRO . 23.5 t80 -58.68 -51.5 69.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.46 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 30.9 mt -73.76 -39.78 63.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.958 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 41' ' ' LEU . 7.4 t0 -35.09 -40.34 0.12 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -102.18 -28.99 11.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.3 mm -99.11 118.6 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.9 mmtm -77.17 -45.51 26.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.954 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.473 ' O ' HD13 ' A' ' 74' ' ' LEU . 36.4 tttt -132.28 89.36 37.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.525 0.678 . . . . 0.0 110.921 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.46 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 54.2 Cg_endo -69.72 153.3 69.27 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.687 2.258 . . . . 0.0 112.372 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 38.7 tpp -151.01 162.14 41.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.821 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -153.2 177.03 11.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.5 ' CD1' ' HG2' ' A' ' 20' ' ' GLN . 5.3 m-85 -73.27 -35.79 66.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -82.62 -40.05 21.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 56.0 m -58.57 -49.76 76.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 17.2 ptm -59.18 -40.26 85.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.517 ' HD3' HD23 ' A' ' 16' ' ' LEU . 40.1 tptt -55.7 -52.63 63.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.873 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -48.22 -52.87 19.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -59.95 -40.69 89.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.745 HD12 ' HB3' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -58.78 -43.59 90.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.984 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.704 ' N ' HD23 ' A' ' 57' ' ' LEU . 60.6 mt-10 -73.13 -11.64 60.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.96 15.23 24.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.604 ' CE2' ' CD1' ' A' ' 9' ' ' LEU . 79.2 m-85 57.09 44.78 21.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.907 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.7 mtt85 -95.22 -32.87 12.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.818 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.449 ' CZ ' ' OD2' ' A' ' 71' ' ' ASP . 25.1 m-85 -99.13 105.19 17.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.971 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.2 mt -103.08 -25.12 13.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -118.55 137.88 52.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -45.88 -54.08 8.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -39.06 -40.11 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -66.75 -62.97 1.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.443 ' CG ' ' HG ' ' A' ' 12' ' ' LEU . 50.2 t80 -49.98 -32.34 14.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -74.29 -46.79 38.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -46.19 -45.17 16.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.449 ' OD2' ' CZ ' ' A' ' 62' ' ' TYR . 3.0 m-20 -58.18 -61.63 2.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.431 ' CD2' HD13 ' A' ' 19' ' ' LEU . 20.1 t80 -44.65 -38.0 4.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -65.87 -48.25 72.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.473 HD13 ' O ' ' A' ' 46' ' ' LYS . 14.7 mt -47.66 -46.7 29.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.417 HD12 ' HA ' ' A' ' 72' ' ' PHE . 50.2 mt -52.81 -43.16 44.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.517 HG11 ' HB2' ' A' ' 97' ' ' ARG . 84.9 t -74.82 -55.69 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.188 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 78' ' ' ASN . 32.7 p -57.06 -67.74 0.29 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.88 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.453 ' C ' ' O ' ' A' ' 77' ' ' SER . 97.5 m-20 -33.97 -42.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.2 t -69.74 -50.27 45.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.955 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.602 ' CD2' ' CE1' ' A' ' 90' ' ' TYR . 19.7 mt -60.93 -23.45 65.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.942 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -86.41 -33.21 20.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -76.18 -62.68 1.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.635 ' HB3' HG21 ' A' ' 87' ' ' THR . 1.5 m-80 -104.67 -176.63 3.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.61 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -119.29 -175.26 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.102 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.487 ' HD3' ' CE1' ' A' ' 90' ' ' TYR . 21.3 mmtp -58.02 -31.15 66.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -52.75 -55.41 22.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.895 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.635 HG21 ' HB3' ' A' ' 83' ' ' ASN . 77.3 p -56.89 171.38 0.35 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.168 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 90' ' ' TYR . 6.2 mt -85.83 -63.71 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.193 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.473 ' N ' HG22 ' A' ' 88' ' ' ILE . 0.9 OUTLIER -38.4 -26.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.915 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.61 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 4.1 t80 -72.31 -53.34 12.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 9.7 mtt-85 -59.07 -39.47 82.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.17 -42.58 93.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.157 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.1 -41.11 97.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.091 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.7 t -55.71 -44.79 78.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -65.85 -52.88 46.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.782 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.429 HD23 ' HB2' ' A' ' 22' ' ' LYS . 24.9 mt -47.04 -42.21 18.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.821 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.517 ' HB2' HG11 ' A' ' 76' ' ' VAL . 49.2 ttt180 -67.5 -39.41 85.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -67.57 -61.61 1.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -69.53 -52.34 27.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.978 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -46.77 -28.21 3.62 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.405 ' CA ' HH11 ' A' ' 105' ' ' ARG . . . -53.74 -48.77 60.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.42 -29.15 65.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.782 0.325 . . . . 0.0 111.069 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.431 HG12 HG23 ' A' ' 15' ' ' THR . 53.9 t -70.32 -41.23 78.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 88.2 mt -73.1 -46.26 52.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.458 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 3.4 mpt_? -59.17 -44.17 92.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -69.32 -21.85 63.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -91.31 -29.0 17.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.072 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 -58.06 -50.79 72.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -54.43 -33.39 59.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -69.75 -49.84 49.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.962 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.626 ' HB2' HD23 ' A' ' 11' ' ' LEU . . . -60.91 -16.87 46.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -98.09 -42.98 7.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 20.3 pttt -60.66 -20.65 61.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.55 ' HE3' ' HA ' ' A' ' 8' ' ' PHE . 6.0 mtt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.917 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.565 ' O ' HD12 ' A' ' 10' ' ' ILE . 4.5 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.948 0.404 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.514 ' HA2' HD13 ' A' ' 10' ' ' ILE . . . -38.86 -48.42 2.5 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.436 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.625 ' CE2' HD11 ' A' ' 12' ' ' LEU . 77.9 t80 -57.59 -39.05 75.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.884 0.373 . . . . 0.0 110.942 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.731 HD11 ' CE2' ' A' ' 60' ' ' TYR . 17.4 mt -59.63 -49.35 78.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.594 HD12 ' H ' ' A' ' 10' ' ' ILE . 4.5 mp -51.99 -56.41 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.103 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.9 tp -44.16 -52.59 7.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.625 HD11 ' CE2' ' A' ' 8' ' ' PHE . 55.6 mt -54.42 -49.5 69.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 83.1 mtt180 -56.41 -50.11 72.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.82 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.421 ' C ' ' HD2' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -59.69 -42.59 93.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.407 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 98.5 m -63.84 -52.82 58.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.164 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.2 tp -46.05 -38.12 7.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -68.95 -50.66 47.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -47.99 -46.73 33.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.942 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.9 mt -57.14 -49.06 77.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 23' ' ' ASP . 12.3 mt-30 -44.17 -51.96 7.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 20' ' ' GLN . 5.9 mm-40 -37.95 -46.07 0.94 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.571 ' HB2' HD23 ' A' ' 96' ' ' LEU . 27.9 mmtm -54.14 -44.6 71.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 20' ' ' GLN . 35.5 t0 -72.82 91.69 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 78.1 p -79.17 -20.86 47.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.37 -14.37 57.28 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.462 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 58.01 29.06 17.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 0.0 110.832 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.555 HD13 ' HD1' ' A' ' 89' ' ' PHE . 78.4 mt -66.62 -38.26 81.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.413 ' HB2' ' CD2' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -96.05 -8.83 32.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 t -59.97 -12.72 8.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.838 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -137.99 151.84 70.89 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.623 0.725 . . . . 0.0 110.953 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 137.05 34.39 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.685 2.257 . . . . 0.0 112.359 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.6 t -67.58 124.45 89.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.584 0.707 . . . . 0.0 111.187 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 135.08 29.6 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.668 2.246 . . . . 0.0 112.354 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 58.3 mt -73.5 -28.01 61.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.838 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.7 p -48.22 -40.05 23.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -90.85 -24.81 20.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.4 t -124.12 87.24 53.6 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.594 0.711 . . . . 0.0 111.156 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -19.89 35.53 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.672 2.248 . . . . 0.0 112.336 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -115.49 32.49 6.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -58.51 -57.45 12.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.465 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 17.3 mt -67.05 -36.0 81.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.934 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -43.14 -37.6 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.412 ' HB2' ' CD1' ' A' ' 82' ' ' TYR . 35.7 m-70 -99.94 -36.36 9.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.425 ' CD1' ' HD3' ' A' ' 81' ' ' LYS . 10.8 mm -102.83 107.0 21.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -67.0 -43.14 83.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -122.49 87.19 48.97 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.58 0.705 . . . . 0.0 110.912 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.465 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 53.7 Cg_endo -69.78 113.79 3.49 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.625 2.217 . . . . 0.0 112.354 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.418 ' C ' ' CG ' ' A' ' 49' ' ' ASP . 37.6 tpp -111.79 156.5 21.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.418 ' CG ' ' C ' ' A' ' 48' ' ' MET . 0.8 OUTLIER -162.65 163.32 27.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.806 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.413 ' CD2' ' HB2' ' A' ' 28' ' ' PHE . 11.6 m-85 -58.56 -34.67 71.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -81.74 -39.47 24.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 75.3 m -64.68 -50.54 66.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 19.5 ptm -58.74 -36.44 74.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.65 -52.34 66.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.942 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 -50.23 -50.33 50.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -61.14 -41.34 96.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.465 ' C ' HD23 ' A' ' 57' ' ' LEU . 4.0 tt -59.4 -44.12 92.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.858 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -70.54 -23.17 62.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.37 11.86 13.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.083 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.731 ' CE2' HD11 ' A' ' 9' ' ' LEU . 9.0 m-85 58.29 43.59 19.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.5 mtt-85 -92.01 -25.79 18.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.519 ' CZ ' ' OD2' ' A' ' 71' ' ' ASP . 26.3 m-85 -103.16 104.92 15.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.4 mt -102.47 -26.56 13.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -114.77 139.01 50.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -49.21 -45.74 44.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -51.69 -37.38 50.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -68.39 -42.28 79.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.838 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -67.47 -35.52 79.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -69.73 -49.91 48.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -42.14 -55.66 3.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.519 ' OD2' ' CZ ' ' A' ' 62' ' ' TYR . 13.2 m-20 -43.86 -57.95 3.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -48.35 -56.43 8.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -44.38 -56.5 4.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 74' ' ' LEU . 12.8 mt -41.16 -54.75 2.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 87.8 mt -45.81 -54.39 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.542 HG11 ' HB2' ' A' ' 97' ' ' ARG . 46.5 t -61.87 -54.34 35.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.154 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 80' ' ' LEU . 33.7 p -60.52 -70.18 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 74' ' ' LEU . 84.9 m-20 -38.21 -31.21 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.418 ' N ' ' O ' ' A' ' 77' ' ' SER . 30.0 t -80.09 -41.42 25.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.54 HD22 ' CZ ' ' A' ' 90' ' ' TYR . 70.8 mt -74.84 -18.83 60.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.425 ' HD3' ' CD1' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -89.84 -40.69 12.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.86 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.412 ' CD1' ' HB2' ' A' ' 43' ' ' HIS . 21.1 t80 -72.85 -48.52 36.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.94 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -100.57 174.27 6.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -117.45 160.23 21.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.112 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.527 ' HA ' ' CG ' ' A' ' 90' ' ' TYR . 8.4 mtmm -45.42 -38.06 5.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.44 -40.44 36.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 49.2 p -71.11 175.14 5.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.171 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.511 ' O ' ' N ' ' A' ' 90' ' ' TYR . 3.3 mt -88.94 -61.23 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.555 ' HD1' HD13 ' A' ' 27' ' ' ILE . 0.7 OUTLIER -38.24 -26.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.54 ' CZ ' HD22 ' A' ' 80' ' ' LEU . 4.7 t80 -68.45 -51.41 43.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.94 -47.84 73.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.924 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -51.37 -39.83 57.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.424 ' HB1' HG13 ' A' ' 76' ' ' VAL . . . -67.22 -40.69 86.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.3 t -54.32 -49.91 60.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.148 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -58.69 -47.56 84.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.571 HD23 ' HB2' ' A' ' 22' ' ' LYS . 47.7 mt -53.3 -47.65 69.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.958 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.542 ' HB2' HG11 ' A' ' 76' ' ' VAL . 73.4 ttt180 -62.3 -35.98 80.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.787 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -71.08 -66.25 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.46 ' CB ' ' HD2' ' A' ' 22' ' ' LYS . 49.5 mt-30 -63.34 -52.76 60.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -42.72 -38.45 3.14 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.555 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -44.86 -35.93 4.65 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.504 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.92 -35.65 67.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 0.0 111.084 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.3 t -69.39 -34.8 64.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.146 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 79.9 mt -81.26 -20.79 40.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.7 mtp180 -89.04 -35.14 16.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.518 ' OE1' ' HB2' ' A' ' 107' ' ' ALA . 0.0 OUTLIER -72.37 -29.19 63.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.518 ' HB2' ' OE1' ' A' ' 106' ' ' GLN . . . -87.56 -37.36 16.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 33.3 ttp85 -49.69 -51.91 34.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -48.54 -35.83 14.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.404 ' O ' ' N ' ' A' ' 112' ' ' GLU . 10.1 mt-30 -66.03 -58.64 5.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -42.35 -25.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 110' ' ' GLN . 29.7 mt-10 -91.38 -45.22 8.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 114' ' ' MET . 3.0 ptmm? -57.65 -28.4 63.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.803 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.422 ' C ' ' O ' ' A' ' 113' ' ' LYS . 14.1 mmt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 9' ' ' LEU . 10.1 p . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.965 0.412 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.32 -49.51 2.91 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.441 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.479 ' CE2' ' O ' ' A' ' 63' ' ' LEU . 43.6 t80 -56.51 -35.87 68.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 110.857 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.65 HD11 ' CE2' ' A' ' 60' ' ' TYR . 28.0 mt -63.73 -54.22 38.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.715 HD12 ' H ' ' A' ' 10' ' ' ILE . 3.9 mp -49.68 -54.21 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 19.8 tp -46.21 -31.82 2.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.634 ' HB3' HD11 ' A' ' 57' ' ' LEU . 83.4 mt -79.7 -49.23 12.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -60.03 -31.98 70.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -83.36 -35.51 25.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.449 HG23 HG12 ' A' ' 103' ' ' VAL . 8.4 m -70.44 -42.57 71.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.152 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.793 ' HA ' HD12 ' A' ' 19' ' ' LEU . 22.2 tp -56.5 -32.71 65.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -73.09 -40.5 64.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -58.92 -33.22 70.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.793 HD12 ' HA ' ' A' ' 16' ' ' LEU . 7.9 mt -66.95 -53.01 35.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.513 ' HG2' ' CD1' ' A' ' 50' ' ' PHE . 28.8 mt-30 -48.83 -43.44 38.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -40.97 -37.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.9 mmtt -67.43 -38.4 84.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 20' ' ' GLN . 23.2 t0 -69.91 83.14 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 67.6 p -75.07 -3.48 32.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.421 ' C ' ' CG ' ' A' ' 26' ' ' ASN . . . -107.46 -5.73 34.03 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.421 ' CG ' ' C ' ' A' ' 25' ' ' GLY . 0.7 OUTLIER 46.21 32.23 1.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.826 0.346 . . . . 0.0 110.889 -179.822 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.419 HG21 ' HD1' ' A' ' 89' ' ' PHE . 79.4 mt -72.26 -41.5 66.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.447 ' O ' ' N ' ' A' ' 30' ' ' GLU . 4.0 m-85 -90.4 -24.75 20.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -41.18 -24.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 28' ' ' PHE . 15.9 mt-10 -127.75 152.28 76.74 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.633 0.73 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 133.46 25.68 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.706 2.271 . . . . 0.0 112.334 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.1 t -58.04 121.46 50.97 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.659 0.742 . . . . 0.0 111.087 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 138.66 38.25 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.644 2.229 . . . . 0.0 112.366 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.9 mt -72.26 -26.48 62.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.9 m -51.37 -45.28 62.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -86.6 -29.61 22.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.6 t -122.02 84.8 45.4 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.599 0.714 . . . . 0.0 111.173 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -18.44 37.19 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.683 2.255 . . . . 0.0 112.328 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -114.24 29.71 7.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.841 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -56.67 -56.36 22.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 43' ' ' HIS . 11.2 mt -70.2 -39.17 75.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -38.63 -27.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 41' ' ' LEU . 54.5 m80 -114.31 -37.17 4.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.552 HD13 ' HE2' ' A' ' 81' ' ' LYS . 34.0 mm -94.08 120.5 43.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.157 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.4 -48.54 16.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -123.84 86.47 53.33 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.567 0.699 . . . . 0.0 110.945 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.451 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 53.7 Cg_endo -69.76 118.19 5.53 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.7 2.267 . . . . 0.0 112.339 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 32.9 tpp -116.6 162.87 16.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -159.46 177.44 10.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.513 ' CD1' ' HG2' ' A' ' 20' ' ' GLN . 11.2 m-85 -66.26 -47.77 72.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -71.61 -41.87 68.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 94.7 m -60.55 -51.06 71.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.112 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.561 ' CE ' ' CE1' ' A' ' 68' ' ' PHE . 2.8 ppp? -58.62 -36.74 74.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.652 ' HD3' HD23 ' A' ' 16' ' ' LEU . 19.0 tptt -60.69 -53.68 54.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.853 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -47.74 -53.66 14.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -58.62 -38.79 78.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.634 HD11 ' HB3' ' A' ' 12' ' ' LEU . 7.2 tt -60.35 -59.39 5.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.509 ' N ' HD23 ' A' ' 57' ' ' LEU . 6.3 pt-20 -59.05 -20.57 54.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.65 6.7 16.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.65 ' CE2' HD11 ' A' ' 9' ' ' LEU . 36.2 m-85 61.75 43.56 9.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.953 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.8 mtt-85 -97.37 -22.93 16.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -106.99 98.8 8.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.479 ' O ' ' CE2' ' A' ' 8' ' ' PHE . 7.4 mt -94.49 -28.97 15.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -113.5 138.15 50.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -47.55 -52.17 18.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -40.3 -36.82 0.57 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -69.95 -63.75 1.02 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.561 ' CE1' ' CE ' ' A' ' 53' ' ' MET . 53.7 t80 -47.9 -34.51 9.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -78.1 -25.0 47.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -66.2 -55.57 15.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 72' ' ' PHE . 0.3 OUTLIER -53.79 -48.59 69.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.482 ' N ' ' OD1' ' A' ' 71' ' ' ASP . 8.9 t80 -53.68 -43.72 69.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -53.72 -52.03 61.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 50.0 mt -45.73 -55.32 6.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 78.8 mt -39.74 -31.58 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.61 HG11 ' HB2' ' A' ' 97' ' ' ARG . 91.2 t -93.23 -46.47 13.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 80' ' ' LEU . 1.0 OUTLIER -62.39 -65.75 0.64 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.869 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -39.59 -47.15 1.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 44.2 t -68.37 -31.89 71.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.55 HD12 HG12 ' A' ' 76' ' ' VAL . 65.8 mt -83.2 -14.03 54.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.552 ' HE2' HD13 ' A' ' 44' ' ' ILE . 10.1 pttt -102.22 -14.16 17.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -90.15 -44.5 9.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.458 ' HB2' HG21 ' A' ' 87' ' ' THR . 12.2 p30 -125.56 -179.39 4.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.597 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -116.08 -178.3 3.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.067 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.38 -37.33 36.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.981 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -44.87 -53.28 7.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.458 HG21 ' HB2' ' A' ' 83' ' ' ASN . 72.8 p -62.79 167.99 4.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.504 HG22 ' N ' ' A' ' 89' ' ' PHE . 3.5 mt -83.43 -61.89 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.504 ' N ' HG22 ' A' ' 88' ' ' ILE . 1.3 m-85 -38.37 -26.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.597 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 2.8 t80 -70.75 -56.8 5.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 29.6 mtt180 -61.07 -42.66 98.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.95 -40.63 98.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.059 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.87 95.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.141 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 90' ' ' TYR . 47.5 t -54.53 -37.51 38.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -65.91 -54.78 22.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.833 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 100' ' ' GLY . 28.0 mt -47.98 -48.2 32.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.61 ' HB2' HG11 ' A' ' 76' ' ' VAL . 39.2 ttt180 -60.51 -41.72 94.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -66.95 -62.72 1.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -67.28 -53.91 25.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -39.56 -44.79 2.51 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.485 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -41.57 -48.26 4.84 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.519 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.93 -36.22 65.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.833 0.349 . . . . 0.0 111.064 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.449 HG12 HG23 ' A' ' 15' ' ' THR . 97.9 t -73.92 -44.12 51.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.462 ' HG ' HD21 ' A' ' 19' ' ' LEU . 88.7 mt -75.97 -18.42 59.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 20.9 mtt-85 -88.32 -31.35 18.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.475 ' HA ' ' NE ' ' A' ' 109' ' ' ARG . 11.1 pt20 -84.6 -22.75 29.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -92.07 -24.86 19.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -58.71 -42.79 89.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.475 ' NE ' ' HA ' ' A' ' 106' ' ' GLN . 13.4 ptp180 -61.17 -33.13 72.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -66.86 -54.08 25.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.64 -15.97 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.071 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -100.5 -44.11 5.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.874 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.3 pttp -57.37 -19.95 26.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 3.3 mtt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.887 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.559 ' O ' HD12 ' A' ' 10' ' ' ILE . 2.6 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.873 0.368 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -40.12 -53.95 3.2 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.494 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.616 ' CZ ' HD11 ' A' ' 12' ' ' LEU . 21.5 t80 -50.91 -42.61 59.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.947 0.403 . . . . 0.0 110.905 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.916 HD11 ' CE2' ' A' ' 60' ' ' TYR . 15.2 mt -55.15 -52.04 64.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.675 HD12 ' H ' ' A' ' 10' ' ' ILE . 4.9 mp -56.09 -53.55 37.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 19.9 tp -45.99 -30.76 1.93 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.616 HD11 ' CZ ' ' A' ' 8' ' ' PHE . 30.6 mt -81.35 -49.45 10.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.471 ' CG ' HD21 ' A' ' 57' ' ' LEU . 67.5 mtp180 -58.2 -35.57 71.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.9 -36.31 56.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.8 m -71.66 -38.41 70.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.745 HD23 ' HD3' ' A' ' 54' ' ' LYS . 25.8 tp -57.05 -35.67 69.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.974 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -74.04 -42.75 59.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -51.09 -42.81 60.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.926 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.432 HD21 ' HG ' ' A' ' 104' ' ' LEU . 9.3 mt -60.21 -46.43 89.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.928 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' A' ' 23' ' ' ASP . 28.6 mt-30 -47.82 -43.57 28.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -42.82 -42.69 3.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.1 mmtt -60.33 -35.9 76.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 20' ' ' GLN . 13.7 t70 -85.17 91.38 8.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 79.4 p -74.13 -31.6 62.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.101 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.46 -14.48 82.11 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.491 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 54.11 38.85 29.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.581 HG21 ' CD1' ' A' ' 89' ' ' PHE . 72.9 mt -70.81 -41.21 77.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -92.72 -6.69 48.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -56.57 -13.18 2.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -141.58 152.34 62.99 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.638 0.733 . . . . 0.0 110.87 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 150.46 68.2 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.72 2.28 . . . . 0.0 112.311 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 65.9 t -79.35 124.89 83.98 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.659 0.742 . . . . 0.0 111.091 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 140.22 42.3 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.632 2.222 . . . . 0.0 112.393 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.4 mt -78.54 -29.12 46.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 92.8 p -51.79 -35.72 44.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -92.46 -29.09 16.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.836 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.3 t -122.58 86.83 49.21 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.599 0.714 . . . . 0.0 111.135 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -18.93 36.9 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.65 2.233 . . . . 0.0 112.342 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -115.44 31.96 6.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -59.56 -57.95 10.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.977 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.462 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 13.2 mt -68.66 -32.39 72.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 41' ' ' LEU . 12.2 t0 -37.23 -34.83 0.09 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.802 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -111.31 -32.8 6.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 11.4 mm -90.92 127.41 43.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.44 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 3.7 mptt -86.41 -41.74 14.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.454 ' HE2' ' CD1' ' A' ' 74' ' ' LEU . 44.4 tttt -132.94 87.96 38.63 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.62 0.724 . . . . 0.0 110.911 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.462 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 54.5 Cg_endo -69.73 107.08 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.726 2.284 . . . . 0.0 112.362 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 42.1 tpp -108.53 156.57 19.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -153.68 168.67 25.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -59.56 -36.28 75.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -81.89 -50.62 8.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.1 m -50.79 -54.85 20.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.099 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 27.5 ptm -53.53 -41.88 66.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.807 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.745 ' HD3' HD23 ' A' ' 16' ' ' LEU . 21.3 tptm -58.2 -48.94 78.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.401 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 11.7 mm100 -49.49 -45.43 46.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -67.08 -33.29 75.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.836 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.521 HD11 ' CB ' ' A' ' 12' ' ' LEU . 6.5 tt -64.36 -52.25 59.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 55' ' ' GLN . 5.1 pt-20 -64.16 -21.33 66.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.422 ' CB ' ' NH1' ' A' ' 61' ' ' ARG . . . -85.63 10.04 14.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.916 ' CE2' HD11 ' A' ' 9' ' ' LEU . 57.1 m-85 59.29 45.41 14.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.422 ' NH1' ' CB ' ' A' ' 59' ' ' ALA . 29.1 mtt85 -96.6 -28.21 14.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -103.05 99.39 9.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.458 ' O ' ' CE2' ' A' ' 8' ' ' PHE . 8.3 mt -95.24 -26.65 15.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.943 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -120.69 137.08 54.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 67' ' ' ASP . 8.5 t80 -44.36 -56.5 4.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 65' ' ' PHE . 3.4 m-20 -34.86 -33.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.871 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 65' ' ' PHE . 10.2 t0 -77.44 -56.68 4.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -53.88 -20.44 5.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -90.9 -30.9 16.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -60.14 -50.39 73.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.471 ' CG ' ' N ' ' A' ' 72' ' ' PHE . 0.3 OUTLIER -56.35 -51.35 68.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.471 ' N ' ' CG ' ' A' ' 71' ' ' ASP . 3.1 t80 -50.95 -47.37 61.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -50.09 -48.31 53.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.454 ' CD1' ' HE2' ' A' ' 46' ' ' LYS . 80.6 mt -55.17 -55.37 32.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.444 HD12 ' HA ' ' A' ' 72' ' ' PHE . 88.7 mt -37.47 -30.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.07 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.595 HG11 ' HB2' ' A' ' 97' ' ' ARG . 98.6 t -94.72 -39.68 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 78' ' ' ASN . 1.4 t -63.28 -67.74 0.4 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.43 ' CG ' ' O ' ' A' ' 74' ' ' LEU . 0.8 OUTLIER -36.67 -44.18 0.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.929 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 11.2 t -66.11 -48.09 72.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.949 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.481 HD21 HG23 ' A' ' 94' ' ' VAL . 82.5 mt -61.4 -23.07 65.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.1 ttmt -85.68 -52.43 5.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.947 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -71.11 -61.57 1.72 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -68.28 -175.83 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.599 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -139.26 160.84 38.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.489 ' HG3' ' CZ ' ' A' ' 90' ' ' TYR . 14.1 mtmm -57.52 -17.72 15.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -76.76 -28.52 55.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.964 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 13.8 p -85.53 175.05 9.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.586 HG22 ' N ' ' A' ' 89' ' ' PHE . 1.7 mt -84.51 -61.96 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.172 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.586 ' N ' HG22 ' A' ' 88' ' ' ILE . 1.5 m-85 -39.25 -25.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.599 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 3.7 t80 -74.63 -57.13 4.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -62.9 -34.33 77.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.8 -37.52 86.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.461 ' HB1' HG13 ' A' ' 76' ' ' VAL . . . -68.48 -38.19 80.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.105 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.481 HG23 HD21 ' A' ' 80' ' ' LEU . 5.0 t -57.77 -43.61 84.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -61.78 -55.49 29.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.817 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 100' ' ' GLY . 76.1 mt -47.38 -47.07 26.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.595 ' HB2' HG11 ' A' ' 76' ' ' VAL . 47.7 ttt85 -59.76 -41.34 90.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -74.4 -66.34 0.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -61.59 -53.93 49.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -46.85 -30.04 4.71 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.5 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -52.19 -36.28 44.21 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.41 -35.45 80.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.787 0.327 . . . . 0.0 111.075 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.2 t -68.49 -45.61 81.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.432 ' HG ' HD21 ' A' ' 19' ' ' LEU . 26.5 mt -70.77 -27.35 63.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 29.8 mtt85 -76.21 -43.11 43.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.818 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -69.21 -28.87 66.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -85.11 -28.45 25.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 40.6 ttt-85 -54.36 -55.64 26.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.48 -32.67 28.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -68.83 -57.81 5.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -51.97 -19.13 1.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -95.73 -45.7 6.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 28.6 pttt -54.93 -18.98 5.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 10.1 mmt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.852 179.896 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 9' ' ' LEU . 5.1 p . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.89 0.376 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.42 -43.51 1.53 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.452 ' CE2' ' O ' ' A' ' 63' ' ' LEU . 38.4 t80 -58.09 -40.93 82.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.896 0.379 . . . . 0.0 110.906 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.466 HD11 ' CE2' ' A' ' 60' ' ' TYR . 47.0 mt -61.03 -35.51 77.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mp -67.99 -47.82 77.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.741 ' CD2' ' HB2' ' A' ' 111' ' ' ALA . 19.7 tp -50.99 -42.24 60.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.487 HD22 ' CG ' ' A' ' 68' ' ' PHE . 45.7 mt -66.17 -54.5 24.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -50.19 -37.05 33.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.433 ' HD3' ' NE2' ' A' ' 18' ' ' GLN . 0.5 OUTLIER -75.78 -36.85 59.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 179.895 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 16' ' ' LEU . 93.1 m -68.31 -59.11 3.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.475 ' CD2' ' HG2' ' A' ' 54' ' ' LYS . 25.1 tp -37.37 -36.51 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.918 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -67.07 -56.13 11.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.843 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.433 ' NE2' ' HD3' ' A' ' 14' ' ' LYS . 73.6 mt-30 -44.63 -43.77 8.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.679 HD22 ' CE2' ' A' ' 72' ' ' PHE . 10.9 mt -63.44 -44.81 93.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -52.15 -41.79 62.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -44.26 -45.11 8.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.447 ' HB2' ' CD2' ' A' ' 96' ' ' LEU . 48.9 mmtt -55.28 -34.73 64.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -76.98 119.1 20.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.5 p -116.9 -29.6 5.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.079 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.25 0.33 88.97 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 51.72 37.51 20.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.795 0.331 . . . . 0.0 110.863 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 81.3 mt -81.26 -42.91 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.579 ' CD2' HD11 ' A' ' 96' ' ' LEU . 1.4 m-85 -96.48 -14.22 22.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -58.11 -13.9 5.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -141.27 152.07 63.24 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.606 0.717 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 157.3 61.0 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.696 2.264 . . . . 0.0 112.361 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.6 t -83.62 125.06 74.56 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.697 0.76 . . . . 0.0 111.162 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 128.13 15.57 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.684 2.256 . . . . 0.0 112.363 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.1 mt -69.11 -37.36 78.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.957 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 79.2 p -48.55 -36.21 14.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -90.6 -29.9 17.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.958 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.5 t -126.67 85.34 60.78 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.718 0.77 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -18.92 36.53 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.669 2.246 . . . . 0.0 112.362 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.465 ' OD2' ' CD2' ' A' ' 43' ' ' HIS . 8.1 t70 -104.86 21.03 17.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -58.0 -64.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.443 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 17.8 mt -60.91 -40.33 92.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.443 ' CG ' ' OD1' ' A' ' 39' ' ' ASP . 0.6 OUTLIER -39.72 -33.14 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.85 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.465 ' CD2' ' OD2' ' A' ' 39' ' ' ASP . 61.7 m-70 -107.17 -36.51 6.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.57 HG23 ' OD1' ' A' ' 78' ' ' ASN . 29.3 mm -98.07 108.92 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -68.17 -46.96 69.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.795 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 42.9 tttp -123.37 87.03 51.89 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.558 0.694 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.443 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 54.0 Cg_endo -69.72 108.3 2.04 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.743 2.296 . . . . 0.0 112.283 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 32.8 tpp -112.38 154.23 26.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -152.1 176.58 11.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.457 ' CD2' ' HB2' ' A' ' 28' ' ' PHE . 6.9 m-85 -67.32 -39.19 85.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -81.9 -33.45 30.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 22.9 m -68.03 -51.96 40.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.406 ' SD ' HD13 ' A' ' 16' ' ' LEU . 2.5 ppp? -60.96 -30.55 70.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.85 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.475 ' HG2' ' CD2' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -63.77 -50.19 70.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.1 mm-40 -49.96 -48.5 52.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.963 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -61.51 -44.37 97.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.474 ' C ' HD23 ' A' ' 57' ' ' LEU . 4.5 tt -56.89 -44.44 82.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -67.36 -22.46 65.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.45 24.0 4.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.06 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.466 ' CE2' HD11 ' A' ' 9' ' ' LEU . 3.2 m-85 48.32 41.4 16.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.934 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 30.9 mtt-85 -86.4 -24.29 25.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.4 ' CE1' ' OD2' ' A' ' 71' ' ' ASP . 23.5 m-85 -108.2 113.35 26.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.452 ' O ' ' CE2' ' A' ' 8' ' ' PHE . 5.3 mt -110.82 -22.68 11.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -117.45 131.44 56.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -44.63 -45.16 9.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -49.15 -38.73 26.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -71.82 -57.76 4.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.83 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.487 ' CG ' HD22 ' A' ' 12' ' ' LEU . 37.7 t80 -49.83 -37.67 31.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.465 ' OE2' HD13 ' A' ' 104' ' ' LEU . 13.1 tt0 -72.51 -50.14 27.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -42.04 -50.94 4.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.834 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.4 ' OD2' ' CE1' ' A' ' 62' ' ' TYR . 7.4 m-20 -50.68 -54.53 22.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.815 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.679 ' CE2' HD22 ' A' ' 19' ' ' LEU . 3.5 t80 -51.38 -55.72 17.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -44.68 -57.33 3.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.4 mt -41.98 -55.47 3.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 95.3 mt -41.15 -38.19 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.098 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.642 HG11 ' HB2' ' A' ' 97' ' ' ARG . 50.7 t -81.0 -49.04 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.416 ' OG ' ' N ' ' A' ' 78' ' ' ASN . 51.8 p -59.67 -64.53 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.57 ' OD1' HG23 ' A' ' 44' ' ' ILE . 62.9 m-20 -38.63 -42.64 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.847 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 11.6 t -66.21 -47.57 73.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.815 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.573 ' HA ' ' CD2' ' A' ' 90' ' ' TYR . 8.1 mt -65.58 -22.9 66.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -80.23 -33.77 37.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -79.93 -66.22 0.9 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -97.02 -178.49 4.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.464 ' HA ' ' CD2' ' A' ' 90' ' ' TYR . . . -128.61 171.49 12.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.031 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.585 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -52.19 -17.79 1.24 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.91 -5.45 21.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 57.8 p -119.42 -177.34 3.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.51 ' O ' ' N ' ' A' ' 90' ' ' TYR . 7.0 mt -88.68 -64.83 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.49 ' N ' HG22 ' A' ' 88' ' ' ILE . 0.9 OUTLIER -38.06 -26.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.585 ' CD1' ' HA ' ' A' ' 85' ' ' LYS . 19.5 t80 -81.57 -49.2 10.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.855 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 88' ' ' ILE . 57.0 mtp180 -64.84 -35.02 79.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.76 -34.4 77.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.587 ' HB1' HG13 ' A' ' 76' ' ' VAL . . . -71.96 -37.24 69.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.055 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 24.5 t -56.82 -36.74 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 37.0 ttt180 -70.67 -43.26 69.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.579 HD11 ' CD2' ' A' ' 28' ' ' PHE . 96.3 mt -57.21 -53.99 51.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.642 ' HB2' HG11 ' A' ' 76' ' ' VAL . 59.3 ttt180 -57.83 -42.21 83.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -65.5 -65.55 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.431 ' O ' ' C ' ' A' ' 100' ' ' GLY . 42.4 mt-30 -63.68 -57.73 9.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 103' ' ' VAL . . . -34.95 -46.11 0.61 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 100' ' ' GLY . . . -36.79 -45.64 1.07 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.539 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.08 -39.45 86.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.79 0.329 . . . . 0.0 111.059 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 100' ' ' GLY . 94.6 t -69.17 -46.25 78.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.465 HD13 ' OE2' ' A' ' 69' ' ' GLU . 79.3 mt -70.03 -25.19 63.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 34.5 mtt85 -82.16 -36.37 27.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.842 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -77.32 -13.92 59.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -96.99 -34.49 11.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.048 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -54.6 -41.81 70.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.833 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -64.63 -32.36 73.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -69.35 -51.88 32.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.741 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . . . -56.63 -19.42 16.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -95.49 -47.23 6.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.1 ptmm? -55.12 -21.31 12.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 8.7 mtt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.926 179.839 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.897 0.379 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.0 -54.9 2.39 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.422 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.805 ' CZ ' HD11 ' A' ' 12' ' ' LEU . 39.5 t80 -49.33 -38.85 29.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.936 0.398 . . . . 0.0 110.894 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.543 ' CD1' ' CE2' ' A' ' 60' ' ' TYR . 22.7 mt -60.23 -47.5 85.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.937 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.491 HD12 ' H ' ' A' ' 10' ' ' ILE . 4.3 mp -61.26 -43.23 96.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.4 tp -54.8 -42.32 71.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.959 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.805 HD11 ' CZ ' ' A' ' 8' ' ' PHE . 75.5 mt -65.04 -56.56 12.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.721 ' CG ' HD21 ' A' ' 57' ' ' LEU . 43.2 mtt180 -47.76 -41.47 23.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.847 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -72.65 -49.43 31.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.955 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.551 HG23 HG12 ' A' ' 103' ' ' VAL . 16.7 m -53.3 -50.61 64.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.521 ' HA ' HD12 ' A' ' 19' ' ' LEU . 9.5 tp -47.71 -43.04 26.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -58.66 -45.89 88.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -53.67 -33.24 54.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 16' ' ' LEU . 38.6 mt -66.67 -46.35 75.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 23' ' ' ASP . 28.8 mt-30 -51.56 -51.49 55.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.965 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' GLN . 19.2 mm-40 -37.56 -47.64 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.426 ' HB2' ' CD2' ' A' ' 96' ' ' LEU . 68.6 mmtt -54.45 -41.81 69.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 20' ' ' GLN . 19.2 t0 -78.75 83.17 4.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.0 p -66.11 -33.78 76.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.196 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.18 -16.29 80.76 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.514 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.7 m120 57.25 38.31 28.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.807 0.337 . . . . 0.0 110.893 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.543 HG21 ' CD1' ' A' ' 89' ' ' PHE . 74.8 mt -71.39 -38.38 68.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.086 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.4 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 4.1 m-85 -92.9 -12.78 30.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -51.92 -17.06 0.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.798 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -138.06 152.05 71.16 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.602 0.715 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 134.69 28.41 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.679 2.253 . . . . 0.0 112.296 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.7 t -57.99 126.17 76.27 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.543 0.687 . . . . 0.0 111.151 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 141.85 46.29 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.615 2.21 . . . . 0.0 112.36 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 73.1 mt -80.76 -26.79 37.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.3 t -47.16 -45.65 22.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.434 ' OE1' HG22 ' A' ' 37' ' ' VAL . 15.2 tm-20 -90.58 -26.61 19.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.894 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.434 HG22 ' OE1' ' A' ' 36' ' ' GLU . 1.8 t -118.24 84.15 21.87 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.57 0.7 . . . . 0.0 111.101 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -19.58 35.92 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.673 2.249 . . . . 0.0 112.374 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -111.89 27.11 9.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -54.48 -58.58 6.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.47 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 27.0 mt -66.15 -41.66 90.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.969 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -38.66 -38.84 0.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 57.2 m-70 -102.34 -31.13 10.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.4 mm -102.1 104.65 16.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -66.45 -43.6 85.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.597 ' HD3' HD11 ' A' ' 74' ' ' LEU . 28.8 tttp -126.81 86.94 57.64 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.519 0.676 . . . . 0.0 110.882 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.47 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 53.8 Cg_endo -69.75 103.98 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.321 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 43.4 tpp -107.97 150.33 27.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.459 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -145.72 -176.11 5.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.901 179.9 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.4 ' CE2' ' HB2' ' A' ' 28' ' ' PHE . 5.3 m-85 -74.24 -32.26 62.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -85.58 -39.68 17.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.6 m -60.84 -47.75 84.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.094 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.481 ' CE ' HD13 ' A' ' 16' ' ' LEU . 21.8 ptm -58.53 -43.23 89.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.915 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.461 ' HD3' ' CD2' ' A' ' 16' ' ' LEU . 28.7 tptt -54.87 -53.04 60.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.915 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -46.88 -48.1 21.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -67.26 -38.66 85.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.721 HD21 ' CG ' ' A' ' 13' ' ' ARG . 1.6 tt -61.67 -45.66 93.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.926 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.501 ' N ' HD23 ' A' ' 57' ' ' LEU . 48.7 mt-10 -66.92 -24.08 66.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.413 ' HB3' ' HG3' ' A' ' 61' ' ' ARG . . . -84.25 12.96 5.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.091 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.543 ' CE2' ' CD1' ' A' ' 9' ' ' LEU . 9.6 m-85 57.39 42.0 25.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.413 ' HG3' ' HB3' ' A' ' 59' ' ' ALA . 43.7 mtt180 -91.71 -26.17 18.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -101.97 104.54 15.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.984 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.6 mt -102.22 -26.89 13.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -117.07 137.37 52.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -45.78 -40.09 9.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.815 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -51.37 -36.63 44.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -71.14 -52.22 20.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.523 ' CG ' HD22 ' A' ' 12' ' ' LEU . 51.8 t80 -59.14 -31.49 69.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.74 ' OE2' HD13 ' A' ' 104' ' ' LEU . 9.3 tp10 -72.81 -51.45 18.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -43.3 -57.11 3.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.73 -62.15 1.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.797 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.511 ' HA ' HD12 ' A' ' 75' ' ' ILE . 6.2 t80 -45.5 -49.67 13.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -50.56 -53.07 33.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.597 HD11 ' HD3' ' A' ' 46' ' ' LYS . 21.9 mt -47.74 -49.87 27.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.511 HD12 ' HA ' ' A' ' 72' ' ' PHE . 95.0 mt -43.05 -39.82 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.073 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.633 HG13 ' HB1' ' A' ' 93' ' ' ALA . 94.6 t -84.43 -51.56 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 78' ' ' ASN . 19.8 m -51.91 -70.41 0.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.772 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 77' ' ' SER . 83.8 m-20 -34.68 -41.18 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 3.5 t -71.41 -48.74 47.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.543 ' CD1' HG12 ' A' ' 76' ' ' VAL . 50.2 mt -66.78 -10.72 50.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -99.32 -32.48 11.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.945 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -76.03 -64.55 1.07 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.669 ' HB3' HG21 ' A' ' 87' ' ' THR . 2.1 m-80 -99.86 -176.21 3.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.901 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.643 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -122.4 -179.44 4.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.095 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.471 ' HG3' ' CE1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -49.25 -37.01 21.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -47.58 -61.97 1.67 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.669 HG21 ' HB3' ' A' ' 83' ' ' ASN . 74.3 p -52.28 173.22 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.1 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 90' ' ' TYR . 5.9 mt -88.53 -63.0 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.543 ' CD1' HG21 ' A' ' 27' ' ' ILE . 0.7 OUTLIER -37.92 -26.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.939 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.643 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 4.9 t80 -69.14 -59.5 2.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 30.5 mtt-85 -59.32 -37.79 78.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.824 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.67 -44.93 95.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.633 ' HB1' HG13 ' A' ' 76' ' ' VAL . . . -64.46 -40.27 95.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 13.5 t -50.45 -49.52 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.433 ' NE ' ' NE2' ' A' ' 99' ' ' GLN . 14.0 ttm180 -61.63 -55.11 34.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.426 ' CD2' ' HB2' ' A' ' 22' ' ' LYS . 30.0 mt -46.05 -48.46 16.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.436 ' HB2' HG11 ' A' ' 76' ' ' VAL . 38.7 ttt85 -59.3 -39.62 83.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.79 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -73.36 -65.23 0.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.433 ' NE2' ' NE ' ' A' ' 95' ' ' ARG . 61.4 mt-30 -63.11 -57.71 9.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -41.81 -37.67 2.12 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.51 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -46.29 -41.94 12.37 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.514 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.52 -31.19 67.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 0.0 111.156 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.551 HG12 HG23 ' A' ' 15' ' ' THR . 98.9 t -72.58 -41.86 63.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.74 HD13 ' OE2' ' A' ' 69' ' ' GLU . 32.4 mt -75.49 -17.77 60.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -86.96 -39.59 15.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -75.95 -22.07 56.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -89.44 -30.66 18.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.074 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -57.17 -44.34 83.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.833 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -54.45 -32.91 58.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' A' ' 112' ' ' GLU . 7.7 mt-30 -70.97 -65.21 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.945 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -39.99 -24.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.061 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 110' ' ' GLN . 12.9 mt-10 -86.04 -41.56 14.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 110' ' ' GLN . 0.0 OUTLIER -71.1 -32.17 68.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.944 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 8.0 mmt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.823 179.86 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 9' ' ' LEU . 1.7 p . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.914 0.388 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -35.83 -45.1 0.77 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.527 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.615 ' CE2' HD11 ' A' ' 12' ' ' LEU . 72.4 t80 -56.54 -42.69 78.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.914 0.387 . . . . 0.0 110.877 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.766 HD11 ' CE2' ' A' ' 60' ' ' TYR . 82.7 mt -53.45 -55.61 23.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.518 HD12 ' H ' ' A' ' 10' ' ' ILE . 3.8 mp -47.85 -47.52 12.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.534 ' CD2' ' HB2' ' A' ' 111' ' ' ALA . 66.9 tp -49.57 -39.58 35.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.615 HD11 ' CE2' ' A' ' 8' ' ' PHE . 24.4 mt -75.94 -39.75 55.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.647 ' HG2' HD21 ' A' ' 57' ' ' LEU . 22.1 mtm180 -66.25 -31.27 71.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -88.47 -31.59 18.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.401 ' N ' ' HG3' ' A' ' 14' ' ' LYS . 16.8 m -72.67 -42.34 64.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.178 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.453 ' HA ' HD12 ' A' ' 19' ' ' LEU . 37.7 tp -55.32 -39.44 69.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.945 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -65.87 -44.17 86.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -53.84 -41.44 67.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 16' ' ' LEU . 24.9 mt -59.37 -49.08 79.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 23' ' ' ASP . 11.2 mt-30 -46.51 -49.04 19.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -37.96 -44.62 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.55 ' HB2' HD23 ' A' ' 96' ' ' LEU . 25.0 mmtm -59.59 -41.38 90.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 20' ' ' GLN . 33.5 t0 -77.68 98.2 5.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.7 p -85.11 -32.45 22.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.93 -13.24 81.59 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.546 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.4 m120 56.09 42.57 28.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.839 0.352 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.9 mt -75.83 -36.03 31.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -98.33 -10.87 23.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -52.85 -19.57 2.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -130.37 152.53 80.4 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.565 0.697 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -179.11 2.67 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.684 2.256 . . . . 0.0 112.323 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.3 t -116.48 123.56 30.47 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.627 0.727 . . . . 0.0 111.139 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 112.01 2.96 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.647 2.231 . . . . 0.0 112.389 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.7 mt -59.18 -32.71 70.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.96 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.1 m -55.1 -30.95 60.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -93.42 -34.6 13.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.408 ' CG1' ' OH ' ' A' ' 82' ' ' TYR . 1.2 t -120.38 84.83 35.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.56 0.695 . . . . 0.0 111.127 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -34.32 14.82 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.617 2.211 . . . . 0.0 112.309 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -79.0 3.87 16.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -51.5 -64.04 0.94 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 42' ' ' ASP . 24.6 mt -67.12 -40.52 86.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 41' ' ' LEU . 4.7 t70 -37.95 -32.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -111.68 -33.97 6.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.449 HD12 ' HA ' ' A' ' 78' ' ' ASN . 6.8 mm -86.62 124.08 40.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -79.76 -51.19 9.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.007 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.704 ' O ' HD22 ' A' ' 74' ' ' LEU . 11.1 tptm -130.91 91.36 36.95 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.569 0.7 . . . . 0.0 110.903 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 160.74 48.57 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.701 2.268 . . . . 0.0 112.342 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.489 ' HB2' HD12 ' A' ' 74' ' ' LEU . 35.6 tpp -168.85 165.62 11.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.893 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -158.29 169.71 23.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -62.07 -36.48 81.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.45 ' CD2' ' N ' ' A' ' 52' ' ' THR . 2.7 t80 -75.92 -60.51 2.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.828 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.45 ' N ' ' CD2' ' A' ' 51' ' ' PHE . 12.3 m -44.41 -56.64 4.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.466 ' HG3' ' N ' ' A' ' 54' ' ' LYS . 14.1 ptm -50.58 -45.77 57.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.466 ' N ' ' HG3' ' A' ' 53' ' ' MET . 0.2 OUTLIER -51.96 -49.77 62.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -52.8 -49.78 64.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -60.75 -39.58 89.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.647 HD21 ' HG2' ' A' ' 13' ' ' ARG . 5.9 tt -61.62 -45.11 95.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -66.34 -23.37 66.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.405 ' HB3' ' HG3' ' A' ' 61' ' ' ARG . . . -87.86 13.33 10.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.179 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.766 ' CE2' HD11 ' A' ' 9' ' ' LEU . 6.0 m-85 57.31 42.69 24.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.405 ' HG3' ' HB3' ' A' ' 59' ' ' ALA . 59.0 mtt180 -90.8 -25.92 19.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -102.58 109.8 21.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.98 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.6 mt -109.17 -24.16 11.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -120.52 133.8 55.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.438 ' O ' ' C ' ' A' ' 66' ' ' ASP . 7.4 t80 -42.12 -55.71 3.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 65' ' ' PHE . 0.9 OUTLIER -35.46 -47.51 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.858 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.48 -56.4 14.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.507 ' CG ' HD22 ' A' ' 12' ' ' LEU . 67.2 t80 -52.31 -24.44 7.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -88.39 -42.14 12.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -51.23 -46.4 62.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -59.73 -47.85 84.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -60.97 -39.16 88.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -50.9 -50.79 56.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.704 HD22 ' O ' ' A' ' 46' ' ' LYS . 22.0 mt -44.17 -60.88 1.69 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.437 ' C ' ' O ' ' A' ' 74' ' ' LEU . 44.6 mt -33.43 -37.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.699 HG11 ' HB2' ' A' ' 97' ' ' ARG . 47.3 t -89.1 -38.79 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 74' ' ' LEU . 25.9 t -66.94 -73.84 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.474 ' ND2' ' HB3' ' A' ' 74' ' ' LEU . 5.1 p30 -40.17 -41.93 1.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.4 t -68.32 -47.56 67.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.544 HD12 HG12 ' A' ' 76' ' ' VAL . 29.0 mt -62.31 -22.71 66.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -89.87 -61.9 1.59 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.408 ' OH ' ' CG1' ' A' ' 37' ' ' VAL . 2.6 t80 -43.13 -58.52 2.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.847 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.429 ' HB3' HG21 ' A' ' 87' ' ' THR . 5.9 m-80 -107.28 176.0 5.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.586 ' HA ' ' CD2' ' A' ' 90' ' ' TYR . . . -123.07 166.4 15.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.078 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.566 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -38.65 -39.78 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -46.74 -48.03 20.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.429 HG21 ' HB3' ' A' ' 83' ' ' ASN . 51.2 p -70.76 171.02 11.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.507 ' O ' ' N ' ' A' ' 90' ' ' TYR . 1.7 mt -82.67 -60.93 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.155 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.479 ' N ' HG22 ' A' ' 88' ' ' ILE . 0.6 OUTLIER -38.75 -25.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.911 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.586 ' CD2' ' HA ' ' A' ' 84' ' ' ALA . 6.7 t80 -71.14 -58.58 3.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -52.97 -48.3 67.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.21 -40.07 67.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.74 -40.66 92.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 83.1 t -58.92 -41.89 84.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.118 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 18.0 ttp180 -62.93 -58.38 7.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.817 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.55 HD23 ' HB2' ' A' ' 22' ' ' LYS . 39.1 mt -47.0 -50.61 18.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.968 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.699 ' HB2' HG11 ' A' ' 76' ' ' VAL . 21.9 ttt-85 -55.04 -36.08 65.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -78.47 -64.61 1.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -63.48 -54.75 31.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -41.87 -35.83 1.65 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.474 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -47.78 -44.13 23.63 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.462 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.03 -34.5 74.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 0.0 111.081 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.8 t -69.31 -46.1 77.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 54.7 mt -74.69 -17.58 60.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -85.5 -40.27 16.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -73.0 -28.29 62.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -86.6 -31.71 21.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -56.32 -48.79 76.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -54.59 -33.54 60.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -65.04 -63.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.849 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.534 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . . . -43.74 -23.05 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.072 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -91.32 -44.82 8.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -20.29 62.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.512 ' HE3' ' HA ' ' A' ' 8' ' ' PHE . 17.0 mtt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.857 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 9' ' ' LEU . 18.6 p . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.854 0.359 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -35.64 -43.45 0.57 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.512 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.478 ' CZ ' HD11 ' A' ' 12' ' ' LEU . 18.6 t80 -64.21 -45.69 87.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.902 0.382 . . . . 0.0 110.903 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 6' ' ' SER . 82.7 mt -51.38 -40.17 58.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.429 HD12 ' O ' ' A' ' 6' ' ' SER . 4.0 mp -63.82 -44.34 98.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.678 HD23 ' HB2' ' A' ' 111' ' ' ALA . 60.2 tp -50.21 -35.48 26.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.656 ' HB3' HD12 ' A' ' 57' ' ' LEU . 9.8 mp -73.17 -49.63 27.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.969 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.858 ' HG2' HD21 ' A' ' 57' ' ' LEU . 15.6 mtm105 -57.82 -44.08 86.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.25 -35.8 66.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.2 m -69.21 -37.36 78.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.744 HD23 ' HD3' ' A' ' 54' ' ' LYS . 37.3 tp -58.84 -38.07 77.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -69.22 -41.73 76.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -55.56 -35.02 65.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.939 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.663 HD13 ' CD2' ' A' ' 72' ' ' PHE . 31.4 mt -70.9 -38.58 73.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 23' ' ' ASP . 8.5 mm-40 -57.8 -40.71 80.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.936 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -43.49 -25.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.0 mmtt -79.51 -36.41 38.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 20' ' ' GLN . 0.7 OUTLIER -64.5 119.38 10.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.901 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.4 p -113.68 -41.01 3.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.135 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.438 ' O ' ' CG ' ' A' ' 26' ' ' ASN . . . -80.1 6.47 59.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.53 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.438 ' CG ' ' O ' ' A' ' 25' ' ' GLY . 2.4 p-10 46.26 41.56 9.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.81 0.338 . . . . 0.0 110.9 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.583 HD13 ' HD1' ' A' ' 89' ' ' PHE . 72.3 mt -85.94 -37.09 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.572 ' CD1' HD11 ' A' ' 96' ' ' LEU . 1.8 m-85 -99.35 -15.1 18.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.09 -10.05 13.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -142.94 151.95 57.51 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-O 121.642 0.734 . . . . 0.0 110.792 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 140.49 42.82 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.641 2.228 . . . . 0.0 112.382 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.1 t -70.65 122.38 86.5 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.611 0.72 . . . . 0.0 111.181 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 144.54 54.47 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.718 2.279 . . . . 0.0 112.336 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.3 mt -82.93 -26.9 30.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.991 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.7 m -46.04 -43.61 14.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -92.1 -20.51 21.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.8 t -126.24 84.82 61.03 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.596 0.713 . . . . 0.0 111.102 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.82 -18.69 36.57 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.63 2.22 . . . . 0.0 112.343 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -114.95 30.48 7.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.841 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -57.16 -60.11 4.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.918 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.422 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 19.2 mt -65.62 -39.8 91.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.95 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 41' ' ' LEU . 0.9 OUTLIER -37.88 -33.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.8 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.475 ' HB2' ' CE1' ' A' ' 82' ' ' TYR . 54.2 m-70 -106.94 -32.29 7.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.449 HD12 ' CB ' ' A' ' 78' ' ' ASN . 19.3 mm -99.59 124.12 52.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.156 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.421 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 6.8 mptt -83.73 -38.02 21.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.847 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.5 mtpt -129.94 88.08 49.87 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.581 0.705 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.422 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 53.9 Cg_endo -69.76 89.23 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.728 2.285 . . . . 0.0 112.316 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 25.9 tpp -94.52 156.03 16.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.924 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -153.86 178.11 10.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.464 ' CE2' ' HB2' ' A' ' 28' ' ' PHE . 3.4 m-85 -69.97 -37.93 75.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -83.8 -34.73 24.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 55.7 m -66.78 -60.51 2.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.115 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.433 ' SD ' HD13 ' A' ' 16' ' ' LEU . 3.0 ppp? -50.27 -32.51 17.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.744 ' HD3' HD23 ' A' ' 16' ' ' LEU . 20.7 tptm -65.17 -40.05 93.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -59.58 -48.38 81.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -61.63 -36.17 80.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.843 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.858 HD21 ' HG2' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -63.5 -42.14 98.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.633 ' N ' HD23 ' A' ' 57' ' ' LEU . 47.1 mt-10 -72.98 -11.83 60.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -98.74 18.33 17.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 53.89 44.56 29.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.945 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 37.7 mtt180 -96.7 -24.84 15.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.519 ' CZ ' ' OD2' ' A' ' 71' ' ' ASP . 18.5 m-85 -107.17 96.99 6.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.7 mt -95.56 -27.93 15.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -113.92 148.24 37.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -56.65 -43.57 80.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -51.3 -32.44 24.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -72.95 -58.65 3.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.821 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.514 ' CG ' ' HG ' ' A' ' 12' ' ' LEU . 76.9 t80 -51.97 -47.67 64.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -58.83 -49.25 78.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -44.06 -55.28 4.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.519 ' OD2' ' CZ ' ' A' ' 62' ' ' TYR . 2.1 m-20 -47.01 -57.88 4.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.833 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.663 ' CD2' HD13 ' A' ' 19' ' ' LEU . 23.7 t80 -50.13 -50.02 50.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.904 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -48.21 -51.41 25.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 75' ' ' ILE . 33.2 mt -50.5 -60.54 2.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.438 ' C ' ' O ' ' A' ' 74' ' ' LEU . 77.1 mt -34.03 -39.38 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.607 HG11 ' HB2' ' A' ' 97' ' ' ARG . 85.9 t -83.12 -46.19 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.165 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 80' ' ' LEU . 14.8 t -58.36 -68.24 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.449 ' CB ' HD12 ' A' ' 44' ' ' ILE . 3.3 p30 -40.05 -38.54 0.74 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.823 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.9 t -74.35 -36.27 63.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.837 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.531 HD12 HG12 ' A' ' 76' ' ' VAL . 88.8 mt -81.31 -10.04 59.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.9 ptmt -103.57 -30.13 10.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.475 ' CE1' ' HB2' ' A' ' 43' ' ' HIS . 4.9 t80 -82.42 -50.78 8.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -100.97 -177.74 3.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.955 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.578 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -128.6 173.21 10.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.493 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 33.3 mttm -49.85 -48.32 51.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.946 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -41.32 -57.36 2.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 72.1 p -55.52 179.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.521 ' O ' ' N ' ' A' ' 90' ' ' TYR . 6.8 mt -93.58 -62.8 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.583 ' HD1' HD13 ' A' ' 27' ' ' ILE . 0.7 OUTLIER -37.38 -27.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.578 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 9.2 t80 -71.39 -57.79 4.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -58.08 -37.16 73.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.934 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.34 -40.66 89.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.32 -40.95 94.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.059 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 11.7 t -53.73 -51.35 44.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -57.07 -52.93 63.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.572 HD11 ' CD1' ' A' ' 28' ' ' PHE . 37.0 mt -45.98 -51.44 13.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.607 ' HB2' HG11 ' A' ' 76' ' ' VAL . 52.4 ttt85 -58.97 -37.86 77.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -72.22 -66.61 0.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -63.81 -53.62 47.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.851 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -45.6 -38.27 7.23 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.461 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -46.56 -35.09 7.1 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.472 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.82 -36.16 81.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.814 0.34 . . . . 0.0 111.112 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 69.7 t -67.34 -42.98 88.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.144 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 80.5 mt -74.86 -31.78 61.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.998 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 34.7 mtm180 -72.62 -34.07 67.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.419 ' HA ' ' NE ' ' A' ' 109' ' ' ARG . 11.1 pt20 -80.32 -26.57 38.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.956 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.437 ' O ' HD21 ' A' ' 11' ' ' LEU . . . -87.89 -25.77 23.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.037 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 61.2 ttt-85 -56.66 -49.36 75.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.419 ' NE ' ' HA ' ' A' ' 106' ' ' GLN . 18.2 ptp180 -53.35 -33.68 54.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.935 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -66.48 -55.03 17.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.958 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.678 ' HB2' HD23 ' A' ' 11' ' ' LEU . . . -55.25 -14.06 1.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -100.25 -44.48 5.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.5 ptmm? -56.61 -30.46 63.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.461 ' HE3' ' HA ' ' A' ' 8' ' ' PHE . 8.2 mtt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.825 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.4 m -142.04 161.39 38.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.86 0.362 . . . . 0.0 110.897 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -38.28 -41.47 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.88 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.02 138.31 6.35 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.495 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.6 p -122.08 96.02 4.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.942 0.401 . . . . 0.0 110.889 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.648 ' O ' HD12 ' A' ' 10' ' ' ILE . 12.1 p -104.84 -50.61 3.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.441 ' HA2' HD13 ' A' ' 10' ' ' ILE . . . -40.46 -46.2 3.53 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.767 ' CE2' HD11 ' A' ' 12' ' ' LEU . 82.2 t80 -59.03 -37.74 77.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.906 0.384 . . . . 0.0 110.895 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.666 HD11 ' CE2' ' A' ' 60' ' ' TYR . 55.2 mt -62.72 -44.68 95.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.648 HD12 ' O ' ' A' ' 6' ' ' SER . 4.9 mp -61.06 -49.58 84.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.523 ' CD2' ' HB2' ' A' ' 111' ' ' ALA . 19.6 tp -50.38 -43.4 54.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.767 HD11 ' CE2' ' A' ' 8' ' ' PHE . 58.2 mt -64.46 -55.29 21.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.428 ' CG ' HD21 ' A' ' 57' ' ' LEU . 25.8 mtp180 -50.97 -40.7 58.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.823 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.421 ' HD2' ' N ' ' A' ' 15' ' ' THR . 0.2 OUTLIER -70.27 -38.26 75.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.571 HG23 HG12 ' A' ' 103' ' ' VAL . 24.3 m -65.36 -56.93 9.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.138 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 26.2 tp -40.05 -45.83 2.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -55.84 -51.01 69.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -48.0 -45.7 31.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.2 mt -57.97 -46.23 85.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -53.87 -42.07 68.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -46.05 -42.68 13.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -62.17 -41.82 98.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -78.3 90.77 4.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.796 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 52.4 p -82.72 -21.68 34.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.65 -16.78 59.51 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 61.39 38.04 16.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.819 0.342 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.491 HG21 ' HD1' ' A' ' 89' ' ' PHE . 42.6 mt -73.39 -32.36 36.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -103.87 -13.05 16.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -50.59 -29.05 9.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.917 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -124.72 152.09 68.84 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.661 0.743 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 137.03 34.56 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.695 2.264 . . . . 0.0 112.293 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.2 t -62.36 130.51 93.25 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.7 0.762 . . . . 0.0 111.068 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 142.11 47.06 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.731 2.287 . . . . 0.0 112.318 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.1 mt -84.69 -27.41 27.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.4 t -52.53 -37.78 58.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -91.74 -26.14 18.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.0 t -122.76 84.62 49.44 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.556 0.693 . . . . 0.0 111.067 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -21.8 32.98 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.712 2.275 . . . . 0.0 112.378 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -109.29 26.72 10.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -55.56 -61.87 2.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.436 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 42.7 mt -63.39 -36.96 85.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.947 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -42.61 -23.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.423 ' N ' ' O ' ' A' ' 41' ' ' LEU . 45.5 m80 -115.75 -25.34 7.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.2 mm -107.81 120.15 58.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 40.8 mmtt -80.2 -39.08 29.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.911 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.441 ' HG2' HD13 ' A' ' 74' ' ' LEU . 48.8 tttp -131.93 86.83 46.5 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.567 0.699 . . . . 0.0 110.921 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.436 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 54.0 Cg_endo -69.8 116.9 4.78 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.592 2.195 . . . . 0.0 112.404 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.411 ' C ' HG12 ' A' ' 75' ' ' ILE . 33.3 tpp -123.56 149.62 45.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.42 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 0.3 OUTLIER -149.79 170.99 17.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -61.35 -37.62 83.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -73.8 -44.27 56.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.7 m -61.97 -55.71 26.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 7.4 ptm -50.59 -37.85 42.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.87 -54.02 51.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -50.05 -53.98 23.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -56.09 -42.28 76.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.476 ' C ' HD23 ' A' ' 57' ' ' LEU . 3.8 tt -62.59 -43.35 99.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -69.07 -16.57 63.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.62 10.12 36.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.666 ' CE2' HD11 ' A' ' 9' ' ' LEU . 5.3 m-85 60.49 41.18 16.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.971 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 51.7 mtt180 -89.87 -23.18 21.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -105.46 109.36 21.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.543 ' O ' ' CE2' ' A' ' 8' ' ' PHE . 6.7 mt -106.92 -25.01 11.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.959 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 65' ' ' PHE . 2.0 m-80 -120.34 126.24 50.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.442 ' C ' ' O ' ' A' ' 64' ' ' ASN . 12.5 t80 -34.47 -56.24 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 65' ' ' PHE . 4.1 t70 -35.36 -50.58 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.83 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -61.54 -53.93 49.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.627 ' CG ' HD22 ' A' ' 12' ' ' LEU . 49.9 t80 -55.74 -27.89 52.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -80.35 -38.81 29.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.827 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -51.39 -57.98 7.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -42.64 -57.37 2.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.815 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -50.0 -57.46 7.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -39.42 -53.18 2.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.441 HD13 ' HG2' ' A' ' 46' ' ' LYS . 65.1 mt -53.56 -56.05 20.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 74' ' ' LEU . 65.1 mt -36.23 -38.4 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.698 HG13 ' HB1' ' A' ' 93' ' ' ALA . 60.3 t -86.67 -43.65 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.187 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.3 m -58.84 -67.63 0.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.425 ' CG ' ' O ' ' A' ' 74' ' ' LEU . 2.6 p30 -44.16 -26.04 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.4 t -84.76 -38.74 19.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.568 ' CD1' HG12 ' A' ' 76' ' ' VAL . 65.1 mt -82.67 -10.88 58.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -99.86 -19.72 16.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -99.87 -41.06 7.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -106.5 166.51 10.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.567 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -115.05 164.31 14.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.152 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.57 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 37.3 mttm -43.75 -49.99 7.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.919 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -38.68 -53.86 1.6 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 52.7 p -57.7 174.71 0.22 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.161 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.505 ' O ' ' N ' ' A' ' 90' ' ' TYR . 1.7 mt -89.82 -61.77 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.491 ' HD1' HG21 ' A' ' 27' ' ' ILE . 1.0 OUTLIER -38.9 -25.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.57 ' CD1' ' HA ' ' A' ' 85' ' ' LYS . 6.4 t80 -69.06 -61.18 1.9 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 20.9 mtp85 -59.56 -29.35 67.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.427 ' CB ' HD12 ' A' ' 27' ' ' ILE . . . -70.96 -34.95 71.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.072 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.698 ' HB1' HG13 ' A' ' 76' ' ' VAL . . . -74.73 -34.92 62.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.115 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.5 t -61.49 -41.11 88.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.135 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -64.54 -42.95 95.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.823 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 60.9 mt -61.59 -47.03 87.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.591 ' HB2' HG11 ' A' ' 76' ' ' VAL . 58.7 ttt85 -62.41 -37.69 86.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -72.71 -64.59 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -64.65 -56.4 14.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -39.92 -37.4 0.97 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.464 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -45.75 -41.69 10.21 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.512 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.77 -37.41 84.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.834 0.349 . . . . 0.0 111.054 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.571 HG12 HG23 ' A' ' 15' ' ' THR . 96.7 t -66.24 -46.03 88.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.167 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 89.3 mt -71.84 -25.29 61.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 44.0 mtt180 -79.54 -32.71 42.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.854 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.403 ' HG3' ' N ' ' A' ' 107' ' ' ALA . 2.3 pt20 -81.09 -32.72 33.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.403 ' N ' ' HG3' ' A' ' 106' ' ' GLN . . . -82.82 -25.26 32.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.058 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.8 tpp85 -60.81 -47.35 86.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -58.19 -33.55 69.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.829 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -67.48 -52.93 33.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.523 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . . . -56.53 -15.06 3.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -100.96 -40.28 7.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.3 ptmm? -63.7 -22.6 66.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 8.9 mtt -45.65 -41.35 10.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -104.17 107.53 2.97 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.425 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.3 t -62.14 88.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.945 0.403 . . . . 0.0 110.805 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -170.0 -84.52 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.454 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -5.93 17.35 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.716 2.277 . . . . 0.0 112.324 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 48.0 t -147.17 123.95 11.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.817 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 98.5 p -74.54 173.45 10.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.444 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -96.36 157.09 16.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.882 0.372 . . . . 0.0 110.872 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.9 m -80.06 44.59 0.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.72 -126.61 4.77 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.47 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -86.49 35.45 0.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 110.873 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 9' ' ' LEU . 2.0 m -42.08 -52.18 4.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.38 -57.52 1.43 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.484 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.806 ' CE2' HD11 ' A' ' 12' ' ' LEU . 46.5 t80 -47.57 -36.49 10.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 0.0 110.881 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.554 HD11 ' CE2' ' A' ' 60' ' ' TYR . 14.3 mt -60.32 -41.99 94.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 mp -65.05 -43.05 96.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.531 ' CD2' ' HB2' ' A' ' 111' ' ' ALA . 18.1 tp -58.12 -35.6 71.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.923 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.806 HD11 ' CE2' ' A' ' 8' ' ' PHE . 96.0 mt -72.7 -46.47 53.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 -64.45 -39.08 93.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -73.91 -35.24 64.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.444 ' N ' ' HG3' ' A' ' 14' ' ' LYS . 21.5 m -72.16 -42.25 66.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.424 HD13 ' SD ' ' A' ' 53' ' ' MET . 20.1 tp -54.91 -38.0 67.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.952 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -65.0 -45.42 85.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -51.3 -46.03 62.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.472 HD13 ' CD2' ' A' ' 72' ' ' PHE . 35.9 mt -58.28 -50.59 73.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -45.26 -47.7 12.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -42.31 -45.49 4.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.411 ' HB2' HD23 ' A' ' 96' ' ' LEU . 30.7 mmtm -52.16 -44.25 64.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -75.75 107.31 7.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.868 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 67.3 p -90.11 -29.89 18.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.75 -21.69 68.24 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.427 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 m120 65.33 32.09 10.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.341 . . . . 0.0 110.935 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.751 HD13 ' HD1' ' A' ' 89' ' ' PHE . 62.4 mt -67.78 -40.18 83.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.083 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.401 ' HB2' ' CD2' ' A' ' 50' ' ' PHE . 2.0 m-85 -92.32 -12.59 32.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -52.44 -17.34 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.827 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -132.69 151.89 78.93 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.688 0.756 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 137.51 35.48 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.66 2.24 . . . . 0.0 112.318 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 88.4 t -62.38 122.36 72.77 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.615 0.722 . . . . 0.0 111.134 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 121.34 8.04 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.639 2.226 . . . . 0.0 112.362 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 53.3 mt -65.04 -23.15 67.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.8 t -58.54 -38.61 78.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.811 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -88.53 -30.5 19.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.6 t -120.48 84.34 35.71 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.606 0.717 . . . . 0.0 111.123 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 -18.22 37.31 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.71 2.274 . . . . 0.0 112.35 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 39' ' ' ASP . 1.5 p-10 -109.75 24.93 12.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.421 ' CE2' ' HB3' ' A' ' 47' ' ' PRO . 22.6 t80 -57.83 -56.77 17.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.469 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 25.3 mt -69.33 -30.57 68.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -48.88 -37.9 21.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -106.48 -24.97 12.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.4 mm -104.25 100.78 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.141 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 50.8 mmtt -59.69 -47.88 83.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.421 ' HE2' ' CD1' ' A' ' 74' ' ' LEU . 36.0 tttt -131.99 87.74 43.47 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.508 0.67 . . . . 0.0 110.871 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.469 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 53.3 Cg_endo -69.85 148.13 63.84 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.643 2.228 . . . . 0.0 112.292 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.448 ' O ' ' CG ' ' A' ' 49' ' ' ASP . 32.4 tpp -141.78 165.39 27.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.799 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.448 ' CG ' ' O ' ' A' ' 48' ' ' MET . 4.2 m-20 -162.6 175.61 11.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.401 ' CD2' ' HB2' ' A' ' 28' ' ' PHE . 3.5 m-85 -70.29 -35.74 73.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.531 ' C ' ' CD1' ' A' ' 51' ' ' PHE . 0.4 OUTLIER -83.14 -36.52 24.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.907 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 59.1 m -61.0 -54.66 42.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.424 ' SD ' HD13 ' A' ' 16' ' ' LEU . 24.0 ptm -55.98 -39.18 71.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -54.17 -51.52 64.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -52.73 -55.31 23.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 42.2 m-20 -57.73 -42.8 84.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.493 ' C ' HD23 ' A' ' 57' ' ' LEU . 2.7 tt -59.71 -45.6 91.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.476 ' N ' HD23 ' A' ' 57' ' ' LEU . 21.2 mm-40 -66.82 -22.07 66.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.11 15.16 6.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.554 ' CE2' HD11 ' A' ' 9' ' ' LEU . 9.4 m-85 55.26 39.67 31.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.949 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 49.7 mtt180 -89.02 -25.51 21.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.823 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -103.94 116.18 31.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.6 mt -115.11 -23.9 8.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -119.7 141.48 49.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -50.73 -46.47 59.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -50.74 -25.08 3.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.797 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -86.73 -45.48 10.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.509 ' CG ' HD22 ' A' ' 12' ' ' LEU . 59.4 t80 -66.65 -25.31 66.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -89.34 -23.32 22.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -62.43 -45.41 93.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.836 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.486 ' OD1' ' N ' ' A' ' 72' ' ' PHE . 0.5 OUTLIER -64.72 -51.89 59.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.507 ' HA ' HD12 ' A' ' 75' ' ' ILE . 2.0 t80 -50.17 -38.44 39.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -62.5 -37.2 85.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.421 ' CD1' ' HE2' ' A' ' 46' ' ' LYS . 39.4 mt -63.83 -45.8 87.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.507 HD12 ' HA ' ' A' ' 72' ' ' PHE . 68.7 mt -48.04 -30.11 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.126 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.537 HG11 ' HB2' ' A' ' 97' ' ' ARG . 57.7 t -91.85 -50.04 12.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.106 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 80' ' ' LEU . 1.6 t -57.14 -66.68 0.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.431 ' ND2' ' HA ' ' A' ' 47' ' ' PRO . 90.0 m-20 -38.4 -41.18 0.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 34.5 t -70.97 -41.61 70.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 77' ' ' SER . 85.2 mt -74.67 -12.67 60.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -97.02 -34.99 10.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -78.77 -57.41 3.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.564 ' HB3' HG21 ' A' ' 87' ' ' THR . 7.7 m-20 -103.27 173.86 6.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.642 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -120.95 179.45 4.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.458 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 14.1 mtpp -51.59 -38.1 52.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -48.49 -36.32 14.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.564 HG21 ' HB3' ' A' ' 83' ' ' ASN . 61.8 p -79.91 169.5 17.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.175 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.502 HG22 ' N ' ' A' ' 89' ' ' PHE . 4.8 mt -83.27 -64.35 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.751 ' HD1' HD13 ' A' ' 27' ' ' ILE . 1.1 m-85 -38.84 -25.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.642 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 8.7 t80 -67.86 -47.54 68.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.429 ' NH1' ' HB3' ' A' ' 91' ' ' ARG . 10.0 mtp-105 -64.49 -48.96 73.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.958 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.56 -44.17 69.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.119 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.24 -41.41 96.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 38.8 t -58.59 -37.57 65.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.156 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.7 ttt180 -70.42 -48.88 54.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 100' ' ' GLY . 77.5 mt -54.39 -49.38 70.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.537 ' HB2' HG11 ' A' ' 76' ' ' VAL . 49.0 ttt85 -58.14 -41.24 83.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.836 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -69.89 -67.0 0.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -64.18 -54.5 32.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -41.22 -39.47 2.21 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.513 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -49.72 -40.91 34.18 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.411 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.64 -29.44 69.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.812 0.339 . . . . 0.0 111.068 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.1 t -77.37 -40.18 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 73.9 mt -73.54 -26.18 60.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.996 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 24.3 mtp180 -82.34 -32.22 29.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -79.33 -25.09 42.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -92.08 -27.25 17.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.171 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 35.0 ttp85 -56.72 -50.3 72.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -51.17 -33.48 27.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -67.25 -59.26 3.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.531 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . . . -47.81 -21.44 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.074 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -94.97 -45.9 7.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 10.1 pttp -55.43 -19.79 10.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.821 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 8.9 mmt -47.16 -63.63 0.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -94.23 -142.5 12.39 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.47 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 26.2 t -103.59 -44.6 5.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.844 0.354 . . . . 0.0 110.857 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 100.54 -163.75 18.81 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.483 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 103.98 1.25 Allowed 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.774 2.316 . . . . 0.0 112.307 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 21.7 t -92.74 90.29 7.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 56.5 p -75.05 -47.06 30.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.497 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -72.37 141.55 48.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.865 0.365 . . . . 0.0 110.861 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.2 p -145.2 122.58 11.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.48 113.94 3.98 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.523 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 m -55.16 89.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.816 0.341 . . . . 0.0 110.844 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 9' ' ' LEU . 1.6 p -81.58 -56.83 3.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.439 ' HA2' HD13 ' A' ' 10' ' ' ILE . . . -40.03 -38.08 1.16 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.444 ' CZ ' HD11 ' A' ' 12' ' ' LEU . 56.9 t80 -65.32 -41.1 94.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.357 . . . . 0.0 110.889 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 6' ' ' SER . 67.6 mt -55.67 -34.93 65.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.495 HD12 ' N ' ' A' ' 10' ' ' ILE . 3.5 mp -69.11 -46.05 78.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.651 ' CD2' ' HB2' ' A' ' 111' ' ' ALA . 52.5 tp -52.34 -32.63 39.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.732 ' HB3' HD12 ' A' ' 57' ' ' LEU . 6.2 mp -75.39 -50.25 16.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.981 ' HG2' HD21 ' A' ' 57' ' ' LEU . 71.9 mtp180 -60.89 -36.05 78.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -77.2 -35.31 55.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.427 ' N ' ' HG3' ' A' ' 14' ' ' LYS . 17.7 m -71.59 -40.32 69.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.138 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.487 ' CD2' ' CD ' ' A' ' 54' ' ' LYS . 9.4 tp -55.47 -40.61 71.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.982 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -63.86 -42.52 97.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -54.3 -40.67 68.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.837 HD13 ' CD2' ' A' ' 72' ' ' PHE . 65.0 mt -64.17 -51.41 63.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' A' ' 23' ' ' ASP . 26.1 mt-30 -46.07 -47.52 17.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -40.4 -39.16 0.93 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -61.15 -42.03 97.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 20' ' ' GLN . 40.2 t0 -75.89 107.29 7.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.836 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 66.7 p -89.51 -25.78 21.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.02 -19.33 57.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.518 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.5 m120 66.05 35.79 6.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.34 . . . . 0.0 110.937 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.52 HD13 ' HD1' ' A' ' 89' ' ' PHE . 67.1 mt -68.88 -44.25 81.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.173 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.457 ' HB2' ' CD2' ' A' ' 50' ' ' PHE . 1.1 m-85 -91.94 -5.03 53.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -62.33 -12.82 23.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.815 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -144.49 150.73 48.62 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.647 0.737 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 150.17 67.75 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.676 2.251 . . . . 0.0 112.333 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.8 t -80.19 123.68 83.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.64 0.733 . . . . 0.0 111.19 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 124.25 10.88 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.626 2.217 . . . . 0.0 112.326 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.7 mt -59.69 -33.55 71.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.6 m -45.01 -35.03 2.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.804 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -94.74 -29.73 14.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.8 t -125.3 86.23 57.29 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.708 0.766 . . . . 0.0 111.144 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.66 -18.53 37.44 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.634 2.223 . . . . 0.0 112.38 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -107.25 22.22 16.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.418 ' CE2' ' HB3' ' A' ' 47' ' ' PRO . 13.9 t80 -56.45 -65.01 0.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.452 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 16.3 mt -61.86 -41.33 97.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -38.13 -36.33 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.431 ' HB2' ' CE1' ' A' ' 82' ' ' TYR . 59.3 m-70 -104.96 -31.28 9.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.8 mm -101.57 119.19 49.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.5 mmtm -77.86 -43.04 31.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -128.02 87.24 56.09 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.616 0.722 . . . . 0.0 110.837 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.452 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 53.5 Cg_endo -69.82 93.76 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.669 2.246 . . . . 0.0 112.283 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 35.4 tpp -91.78 157.98 16.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.96 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -159.85 159.85 33.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.457 ' CD2' ' HB2' ' A' ' 28' ' ' PHE . 9.7 m-85 -53.93 -34.07 58.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -85.88 -39.31 17.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 27.7 m -61.13 -51.18 70.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.457 ' SD ' HD13 ' A' ' 16' ' ' LEU . 11.1 ptm -57.05 -34.71 68.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.487 ' CD ' ' CD2' ' A' ' 16' ' ' LEU . 16.1 tptm -58.07 -51.89 67.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -49.79 -50.89 43.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -64.79 -40.27 94.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.981 HD21 ' HG2' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -59.86 -41.72 92.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.946 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.658 ' N ' HD23 ' A' ' 57' ' ' LEU . 15.4 mt-10 -81.07 -6.39 58.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -98.28 16.81 20.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.073 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 57.78 35.74 25.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.6 mtt180 -90.13 -25.84 20.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -107.8 113.22 26.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.963 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.4 mt -110.34 -26.72 9.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.508 ' ND2' ' OD2' ' A' ' 67' ' ' ASP . 0.7 OUTLIER -122.47 143.88 49.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -51.51 -40.4 59.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -51.59 -25.64 7.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.508 ' OD2' ' ND2' ' A' ' 64' ' ' ASN . 83.2 m-20 -87.43 -50.13 6.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.443 ' CG ' ' HG ' ' A' ' 12' ' ' LEU . 45.5 t80 -63.77 -21.01 66.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.91 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -88.16 -22.0 24.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.87 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -69.66 -52.78 22.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.84 -51.69 65.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.837 ' CD2' HD13 ' A' ' 19' ' ' LEU . 5.4 t80 -51.87 -39.53 59.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -61.22 -34.61 75.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.935 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 76' ' ' VAL . 34.8 mt -67.31 -54.36 21.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 72' ' ' PHE . 73.8 mt -38.93 -27.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.19 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.684 HG11 ' HB2' ' A' ' 97' ' ' ARG . 74.2 t -94.95 -43.52 13.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.142 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 80' ' ' LEU . 9.2 t -59.85 -68.78 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -41.44 -31.66 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 3.8 t -80.89 -38.81 27.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.586 HD12 HG12 ' A' ' 76' ' ' VAL . 74.8 mt -79.52 -12.03 59.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.46 ' CG ' ' N ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -98.28 -45.94 6.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.836 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.46 ' N ' ' CG ' ' A' ' 81' ' ' LYS . 10.3 t80 -66.6 -56.43 10.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.963 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -98.14 172.34 7.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.639 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -119.5 164.22 16.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.559 ' HG3' ' CE1' ' A' ' 90' ' ' TYR . 66.0 mttt -41.48 -44.02 2.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -41.15 -47.37 3.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 43.0 p -69.28 170.42 10.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.502 ' O ' ' N ' ' A' ' 90' ' ' TYR . 1.6 mt -82.32 -61.45 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.52 ' HD1' HD13 ' A' ' 27' ' ' ILE . 1.4 m-85 -39.03 -25.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.639 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 6.1 t80 -70.52 -60.56 2.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.941 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -55.47 -37.0 67.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.19 -43.84 90.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.076 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.552 ' HB1' HG13 ' A' ' 76' ' ' VAL . . . -61.55 -42.51 98.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.019 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.529 HG23 HD21 ' A' ' 80' ' ' LEU . 37.6 t -54.73 -42.39 61.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.427 ' HD2' ' NE2' ' A' ' 99' ' ' GLN . 5.8 ttp-105 -61.52 -59.98 4.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 100' ' ' GLY . 86.0 mt -45.29 -50.22 12.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.971 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.684 ' HB2' HG11 ' A' ' 76' ' ' VAL . 58.3 ttt85 -57.28 -41.0 78.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -74.07 -67.38 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.427 ' NE2' ' HD2' ' A' ' 95' ' ' ARG . 59.2 mt-30 -62.75 -54.03 45.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -45.19 -34.57 4.49 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.533 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -49.76 -41.69 35.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.478 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.2 -25.14 68.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.341 . . . . 0.0 111.094 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 97.2 t -78.64 -38.85 22.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 57.7 mt -78.77 -16.48 57.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 70.0 mtm180 -89.3 -39.5 13.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.81 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.441 ' OE1' ' HB2' ' A' ' 107' ' ' ALA . 0.0 OUTLIER -69.65 -29.53 67.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.441 ' HB2' ' OE1' ' A' ' 106' ' ' GLN . . . -85.46 -29.54 24.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -51.17 -43.99 61.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -57.22 -37.42 72.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -65.05 -53.17 49.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.651 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . . . -54.12 -15.96 1.77 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -101.63 -38.43 7.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 11.6 pttp -62.54 -21.1 65.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 7.1 mtt -49.51 -43.92 45.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.92 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -165.17 -160.37 12.48 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.438 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.0 t -103.65 -51.1 3.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.895 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 173.61 152.69 9.06 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.405 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -19.97 35.09 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.344 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 8.0 t -103.49 157.54 16.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 26.3 t -126.31 -55.8 1.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 179.974 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.432 -0.267 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p -104.21 142.0 35.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.937 0.398 . . . . 0.0 110.841 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -157.45 169.91 23.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.91 -96.24 0.22 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 m -100.31 53.58 0.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.891 0.376 . . . . 0.0 110.876 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.527 ' O ' HD12 ' A' ' 10' ' ' ILE . 5.5 m -72.87 -41.85 64.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.872 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -40.44 -56.82 2.82 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.502 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.82 ' CE2' HD11 ' A' ' 12' ' ' LEU . 68.2 t80 -46.7 -45.59 19.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.911 0.386 . . . . 0.0 110.901 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.55 HD11 ' CE2' ' A' ' 60' ' ' TYR . 21.9 mt -51.94 -54.72 26.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.654 HD12 ' H ' ' A' ' 10' ' ' ILE . 5.0 mp -53.76 -56.32 9.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.9 tp -41.75 -40.52 2.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.82 HD11 ' CE2' ' A' ' 8' ' ' PHE . 72.1 mt -68.9 -45.07 71.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.481 ' HG2' HD21 ' A' ' 57' ' ' LEU . 54.0 mtm180 -58.32 -42.7 87.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 15' ' ' THR . 0.2 OUTLIER -72.35 -38.63 68.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.434 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 87.0 m -68.18 -35.33 77.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.181 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.427 HD13 ' SD ' ' A' ' 53' ' ' MET . 35.9 tp -62.02 -39.55 92.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -65.48 -45.04 85.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -53.54 -35.6 60.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.451 HD13 ' CD2' ' A' ' 72' ' ' PHE . 50.2 mt -67.78 -39.34 84.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -59.9 -44.62 94.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -42.07 -45.78 4.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.946 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.469 ' HB2' ' CD2' ' A' ' 96' ' ' LEU . 28.9 mmtm -53.73 -42.24 67.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -78.88 85.1 4.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 52.1 p -70.99 -27.64 63.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.54 -17.05 69.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.437 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.0 m120 62.42 34.42 15.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.862 0.363 . . . . 0.0 110.914 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.428 HG21 ' HD1' ' A' ' 89' ' ' PHE . 21.4 mt -68.8 -36.59 74.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.173 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -99.65 -10.05 22.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -56.88 -14.08 3.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -140.16 152.1 66.42 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.699 0.761 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 137.8 36.3 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.678 2.252 . . . . 0.0 112.343 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.5 t -65.17 129.96 94.63 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.584 0.707 . . . . 0.0 111.073 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 146.21 59.67 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.651 2.234 . . . . 0.0 112.332 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 54.0 mt -84.48 -25.35 28.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.5 t -52.99 -42.89 66.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.771 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -89.85 -22.38 22.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.818 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.1 t -127.19 83.08 66.92 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.622 0.725 . . . . 0.0 111.072 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -20.82 34.09 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.739 2.293 . . . . 0.0 112.353 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -110.61 26.52 10.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -52.9 -52.5 57.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 43' ' ' HIS . 54.1 mt -73.46 -37.85 65.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 41' ' ' LEU . 15.9 t70 -37.08 -30.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.465 ' N ' ' O ' ' A' ' 41' ' ' LEU . 50.0 m80 -111.42 -35.06 5.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.4 mm -94.5 129.9 44.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.1 mmtt -89.86 -41.6 11.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.898 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.1 tttp -128.78 87.16 55.56 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.599 0.714 . . . . 0.0 110.878 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 109.63 2.37 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.694 2.263 . . . . 0.0 112.353 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 25.8 tpp -110.45 162.51 14.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -160.8 172.84 16.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -62.65 -56.52 16.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -65.86 -42.85 89.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.5 m -58.37 -54.54 45.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.439 ' HG3' ' N ' ' A' ' 54' ' ' LYS . 2.4 ppp? -55.1 -33.55 62.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.446 ' HD2' HD22 ' A' ' 57' ' ' LEU . 9.6 tptm -64.16 -48.03 77.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -52.07 -45.11 64.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.838 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -68.17 -37.66 81.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.804 HD23 ' N ' ' A' ' 58' ' ' GLU . 0.9 OUTLIER -61.75 -57.05 13.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.804 ' N ' HD23 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -57.91 -20.74 39.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.23 9.99 13.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.158 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.55 ' CE2' HD11 ' A' ' 9' ' ' LEU . 16.3 m-85 60.22 43.18 14.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.1 mtt85 -94.54 -23.95 17.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.474 ' CZ ' ' OD2' ' A' ' 71' ' ' ASP . 13.8 m-85 -107.53 111.52 23.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.977 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.6 mt -107.46 -23.09 12.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -117.44 134.32 54.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -42.99 -38.01 2.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -55.56 -42.18 74.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -64.73 -60.9 2.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.515 ' CG ' HD22 ' A' ' 12' ' ' LEU . 48.7 t80 -48.3 -45.11 34.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -67.1 -50.79 60.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -38.61 -52.53 1.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.474 ' OD2' ' CZ ' ' A' ' 62' ' ' TYR . 15.0 m-20 -52.69 -55.72 20.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.832 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.451 ' CD2' HD13 ' A' ' 19' ' ' LEU . 10.6 t80 -50.64 -43.3 57.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -53.0 -56.1 18.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.446 ' HB3' ' ND2' ' A' ' 78' ' ' ASN . 73.9 mt -44.49 -52.0 8.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 83.5 mt -40.48 -46.64 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.653 HG11 ' HB2' ' A' ' 97' ' ' ARG . 84.0 t -77.63 -51.5 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.074 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 80' ' ' LEU . 12.8 m -56.05 -65.57 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.811 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.446 ' ND2' ' HB3' ' A' ' 74' ' ' LEU . 83.7 m-20 -40.98 -33.01 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 6.4 t -76.72 -42.55 40.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.52 ' CD1' HG12 ' A' ' 76' ' ' VAL . 10.9 mt -75.28 -15.03 60.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -94.31 -25.39 17.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -84.33 -55.68 4.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.957 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.559 ' HB3' HG21 ' A' ' 87' ' ' THR . 6.1 m-80 -108.71 -175.34 2.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.566 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -119.45 -174.55 2.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.576 ' HG3' ' CE1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -64.78 -15.16 61.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.86 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -72.54 -27.97 62.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.852 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.559 HG21 ' HB3' ' A' ' 83' ' ' ASN . 72.9 p -85.77 165.42 16.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.523 HG22 ' N ' ' A' ' 89' ' ' PHE . 3.9 mt -76.67 -65.0 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.523 ' N ' HG22 ' A' ' 88' ' ' ILE . 0.8 OUTLIER -37.92 -26.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.576 ' CE1' ' HG3' ' A' ' 85' ' ' LYS . 4.5 t80 -72.88 -68.36 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.011 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 44.2 mtp85 -49.01 -41.07 33.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.82 -40.98 99.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.409 ' HB1' HG13 ' A' ' 76' ' ' VAL . . . -67.33 -40.53 85.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 24.4 t -54.9 -41.42 57.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -64.82 -43.52 92.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 22' ' ' LYS . 31.6 mt -58.29 -43.21 87.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.653 ' HB2' HG11 ' A' ' 76' ' ' VAL . 49.7 ttt85 -63.14 -35.84 81.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -75.39 -60.5 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -68.87 -56.96 6.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.984 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -38.26 -39.86 0.8 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.463 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -45.76 -47.95 13.34 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.43 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.02 -27.69 33.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 111.093 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 68.9 t -79.27 -45.57 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 56.4 mt -72.96 -17.62 61.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.0 mtp180 -87.34 -38.04 16.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -74.05 -35.51 64.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.28 -21.99 42.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 7.8 tpp85 -59.61 -50.36 74.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -55.55 -32.31 62.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -68.66 -57.61 5.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.42 -14.86 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.087 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -100.46 -40.22 7.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -60.35 -25.16 65.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.818 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 14.0 mmt -41.11 -59.19 1.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 154.35 -163.76 31.23 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.446 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.9 m -173.68 114.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.988 0.423 . . . . 0.0 110.883 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -155.22 146.89 15.16 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.562 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -50.14 0.49 Allowed 'Trans proline' 0 N--CA 1.466 -0.12 0 C-N-CA 122.726 2.284 . . . . 0.0 112.383 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 89.8 p -108.33 162.2 14.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 86.0 p -43.4 119.42 1.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.516 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t 51.74 40.9 28.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.788 0.327 . . . . 0.0 110.806 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -102.44 38.6 1.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.16 -38.67 1.63 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.561 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -74.85 79.03 2.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.91 0.386 . . . . 0.0 110.883 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.475 ' O ' ' N ' ' A' ' 9' ' ' LEU . 10.1 p -63.17 -57.04 11.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -34.35 -43.87 0.38 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.518 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.549 ' CE2' HD11 ' A' ' 12' ' ' LEU . 87.8 t80 -58.17 -44.76 88.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 110.836 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.574 ' CD1' ' CE2' ' A' ' 60' ' ' TYR . 70.0 mt -59.47 -41.11 89.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.408 HD12 ' H ' ' A' ' 10' ' ' ILE . 4.5 mp -68.56 -43.7 83.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.7 tp -52.96 -39.99 63.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.549 HD11 ' CE2' ' A' ' 8' ' ' PHE . 47.4 mt -69.29 -52.6 25.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.539 ' CG ' HD21 ' A' ' 57' ' ' LEU . 79.7 mtt180 -48.06 -44.21 31.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.462 ' HD2' ' N ' ' A' ' 15' ' ' THR . 0.2 OUTLIER -71.12 -42.97 68.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.566 HG23 HG12 ' A' ' 103' ' ' VAL . 54.1 m -58.08 -49.68 76.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.784 HD13 ' SD ' ' A' ' 53' ' ' MET . 20.6 tp -50.32 -46.66 55.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -54.13 -51.84 62.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -45.7 -48.4 15.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.591 HD13 ' CD2' ' A' ' 72' ' ' PHE . 18.5 mt -57.53 -46.45 83.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -51.3 -43.69 61.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -48.86 -43.68 39.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.4 mmtt -58.02 -40.82 81.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -71.9 79.74 0.89 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.5 p -66.21 -35.85 81.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.426 ' O ' ' CG ' ' A' ' 26' ' ' ASN . . . -78.28 -9.15 87.21 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.437 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.426 ' CG ' ' O ' ' A' ' 25' ' ' GLY . 5.1 p-10 46.82 44.75 14.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.797 0.332 . . . . 0.0 110.88 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.587 HG21 ' HD1' ' A' ' 89' ' ' PHE . 86.4 mt -79.83 -38.76 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -92.06 -15.83 27.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -49.32 -18.73 0.4 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -132.53 152.34 79.82 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.697 0.76 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 133.56 25.84 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.642 2.228 . . . . 0.0 112.337 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.6 t -59.85 126.07 82.2 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.666 0.746 . . . . 0.0 111.162 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 141.95 46.77 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.685 2.257 . . . . 0.0 112.377 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 41.3 mt -82.46 -26.06 32.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.949 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.0 m -50.83 -40.91 56.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -90.81 -28.42 18.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.6 t -120.21 83.98 33.24 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.683 0.754 . . . . 0.0 111.126 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -17.9 37.51 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.695 2.264 . . . . 0.0 112.31 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -112.38 27.42 9.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -58.27 -61.96 2.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.441 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 24.7 mt -64.65 -33.09 75.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.899 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.0 -33.97 2.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.491 ' HB2' ' CE1' ' A' ' 82' ' ' TYR . 36.4 m-70 -105.75 -30.79 9.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.457 ' CD1' ' HD3' ' A' ' 81' ' ' LYS . 11.7 mm -101.47 123.7 54.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -82.27 -45.3 15.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.9 tttp -125.55 86.84 56.7 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.526 0.679 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.441 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 53.2 Cg_endo -69.73 113.41 3.36 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.642 2.228 . . . . 0.0 112.356 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 42.3 tpp -110.69 157.18 20.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -150.74 179.92 7.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -75.6 -39.68 57.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -77.48 -40.15 44.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.6 m -63.01 -52.71 61.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.152 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.784 ' SD ' HD13 ' A' ' 16' ' ' LEU . 3.6 ppp? -53.92 -36.53 62.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.635 ' HD3' HD23 ' A' ' 16' ' ' LEU . 14.8 tptm -65.68 -45.15 83.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -54.73 -46.33 74.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -66.25 -39.36 89.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.539 HD21 ' CG ' ' A' ' 13' ' ' ARG . 1.9 tt -61.08 -42.86 99.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.424 ' N ' HD23 ' A' ' 57' ' ' LEU . 8.1 mm-40 -67.71 -19.43 65.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.36 20.53 7.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.154 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.574 ' CE2' ' CD1' ' A' ' 9' ' ' LEU . 8.2 m-85 51.61 43.68 29.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.1 mtt-85 -93.26 -22.4 19.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -110.15 107.97 17.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.497 ' O ' ' CE2' ' A' ' 8' ' ' PHE . 7.2 mt -105.74 -25.58 12.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -114.15 146.04 40.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -55.07 -49.5 71.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -46.04 -32.19 2.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.933 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -76.45 -59.65 2.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.432 ' CG ' HD22 ' A' ' 12' ' ' LEU . 20.0 t80 -54.87 -25.5 29.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -84.93 -31.16 23.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -58.2 -56.5 21.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.836 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.532 ' CG ' ' N ' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -49.26 -54.91 14.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.852 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.591 ' CD2' HD13 ' A' ' 19' ' ' LEU . 12.8 t80 -50.73 -45.33 58.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -57.74 -49.42 76.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 74' ' ' LEU . 14.7 mt -44.78 -52.49 8.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 57.7 mt -47.25 -47.15 9.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.404 HG11 ' HB2' ' A' ' 97' ' ' ARG . 89.4 t -67.91 -53.74 28.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 80' ' ' LEU . 10.3 p -61.96 -66.69 0.5 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 77' ' ' SER . 77.5 m-20 -36.18 -31.16 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.867 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.482 ' N ' ' O ' ' A' ' 77' ' ' SER . 7.8 t -81.22 -44.14 18.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 77' ' ' SER . 27.5 mt -71.79 -19.32 62.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.457 ' HD3' ' CD1' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -89.95 -36.23 15.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.844 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.491 ' CE1' ' HB2' ' A' ' 43' ' ' HIS . 12.7 t80 -77.48 -52.64 8.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.914 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.553 ' HB3' HG21 ' A' ' 87' ' ' THR . 1.8 m-80 -103.75 -176.38 3.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.647 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -125.68 -178.42 4.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.069 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.446 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -54.25 -34.3 60.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.937 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.08 -61.0 2.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.553 HG21 ' HB3' ' A' ' 83' ' ' ASN . 66.8 p -49.07 170.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.504 ' O ' ' N ' ' A' ' 90' ' ' TYR . 7.5 mt -87.07 -64.19 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.171 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.587 ' HD1' HG21 ' A' ' 27' ' ' ILE . 0.8 OUTLIER -38.16 -26.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.647 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 7.8 t80 -68.41 -65.76 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.954 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 52.8 mtt-85 -52.15 -41.4 62.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.46 -48.04 83.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.072 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -55.67 -45.11 77.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 43.5 t -50.53 -51.81 17.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.16 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 6.2 ttp-105 -55.75 -54.98 37.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 13.3 mt -43.97 -47.53 8.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.404 ' HB2' HG11 ' A' ' 76' ' ' VAL . 50.6 ttt-85 -64.91 -35.16 80.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -65.12 -66.53 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -69.04 -49.12 60.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -42.15 -39.8 3.15 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -47.06 -44.76 19.51 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.538 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.65 -27.15 62.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.836 0.35 . . . . 0.0 111.126 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.566 HG12 HG23 ' A' ' 15' ' ' THR . 87.6 t -82.1 -40.64 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 68.4 mt -75.76 -19.04 59.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 24.7 mtt85 -89.95 -39.27 13.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -70.88 -20.5 62.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -93.81 -38.37 11.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.048 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -47.55 -46.0 27.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -57.4 -34.58 69.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.954 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -66.68 -54.03 27.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.31 -16.92 1.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -94.92 -41.45 9.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 11.9 pttp -62.8 -28.37 69.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 8.3 mmt -39.37 -38.74 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 117.99 146.19 8.09 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.442 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 16.3 m -82.28 -45.31 15.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.933 0.397 . . . . 0.0 110.955 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 112.25 -95.14 0.78 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.488 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 116.22 4.46 Favored 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 122.698 2.265 . . . . 0.0 112.365 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 10.8 t -76.25 124.18 27.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.84 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.9 t -139.22 133.73 31.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.428 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t -97.54 106.93 19.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.833 0.349 . . . . 0.0 110.95 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 m -58.05 144.06 41.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.23 -124.4 1.39 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.482 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 p -106.68 35.82 2.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.873 0.368 . . . . 0.0 110.834 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 9' ' ' LEU . 4.4 p -71.25 -55.68 7.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.818 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.92 -45.68 1.63 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.457 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.493 ' CE1' HD11 ' A' ' 12' ' ' LEU . 43.8 t80 -60.18 -41.53 93.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.94 0.4 . . . . 0.0 110.899 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.711 HD11 ' CE2' ' A' ' 60' ' ' TYR . 18.9 mt -54.1 -41.94 68.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.976 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.439 HD12 ' H ' ' A' ' 10' ' ' ILE . 3.3 mp -59.24 -44.56 92.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.141 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 52.0 tp -53.53 -38.23 63.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.76 ' HB3' HD12 ' A' ' 57' ' ' LEU . 7.5 mp -74.59 -47.54 31.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.81 ' HG2' HD21 ' A' ' 57' ' ' LEU . 38.7 mtp180 -61.52 -32.98 73.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -83.68 -32.9 25.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.438 ' N ' ' HG3' ' A' ' 14' ' ' LYS . 18.5 m -73.43 -37.77 65.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.218 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.62 HD13 ' SD ' ' A' ' 53' ' ' MET . 29.1 tp -56.98 -40.72 77.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -65.04 -47.89 75.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -53.61 -31.2 46.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.973 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.414 HD13 ' CD2' ' A' ' 72' ' ' PHE . 96.2 mt -73.33 -45.57 54.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.401 ' O ' ' N ' ' A' ' 23' ' ' ASP . 10.5 mt-30 -53.41 -39.01 63.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -40.55 -42.84 1.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.582 ' HB2' HD23 ' A' ' 96' ' ' LEU . 24.8 mmtm -60.33 -42.33 95.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 20' ' ' GLN . 56.1 t0 -69.5 117.76 11.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.969 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.6 p -115.79 -24.95 7.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.203 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.44 ' O ' ' CG ' ' A' ' 26' ' ' ASN . . . -87.78 5.72 84.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.44 ' CG ' ' O ' ' A' ' 25' ' ' GLY . 1.9 p-10 46.25 42.71 10.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.828 0.347 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.481 HD13 ' HD1' ' A' ' 89' ' ' PHE . 74.7 mt -87.02 -36.59 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.063 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.58 ' CD1' HD11 ' A' ' 96' ' ' LEU . 4.3 m-85 -100.21 -14.81 18.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 t -51.97 -30.14 23.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -127.19 152.29 75.75 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.678 0.752 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.82 135.84 31.34 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.629 2.219 . . . . 0.0 112.392 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.3 t -53.86 126.48 50.52 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.663 0.745 . . . . 0.0 111.127 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 136.97 34.54 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.686 2.257 . . . . 0.0 112.354 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.3 mt -81.48 -38.49 26.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.9 t -48.09 -25.7 1.55 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -102.76 -29.45 11.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -130.81 83.84 60.26 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.625 0.726 . . . . 0.0 111.185 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -18.36 37.09 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.714 2.276 . . . . 0.0 112.298 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.49 ' OD1' ' CB ' ' A' ' 42' ' ' ASP . 6.4 t0 -99.28 14.32 29.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -57.86 -58.31 8.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.98 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.4 mt -63.02 -34.76 78.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.49 ' CB ' ' OD1' ' A' ' 39' ' ' ASP . 24.5 t0 -45.91 -41.76 11.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 45.4 m-70 -97.02 -41.58 8.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.9 mm -89.85 115.44 29.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.132 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.7 mmtm -75.03 -47.28 29.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -124.94 86.92 55.94 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.606 0.717 . . . . 0.0 110.879 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 97.8 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.669 2.246 . . . . 0.0 112.316 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.1 tpp -102.23 149.78 23.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -143.07 -177.44 5.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -73.89 -30.3 62.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -86.25 -47.5 9.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.6 m -54.17 -54.08 44.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.112 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.62 ' SD ' HD13 ' A' ' 16' ' ' LEU . 28.1 ptm -55.01 -38.27 67.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.816 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.595 ' HD2' HD22 ' A' ' 57' ' ' LEU . 13.3 tptm -58.39 -46.02 87.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -56.25 -58.32 8.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 57.6 m-20 -52.37 -39.52 60.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.951 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.81 HD21 ' HG2' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -58.71 -41.52 86.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.858 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.619 ' N ' HD23 ' A' ' 57' ' ' LEU . 58.8 mt-10 -76.02 -10.12 59.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -98.26 19.69 13.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.073 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.711 ' CE2' HD11 ' A' ' 9' ' ' LEU . 76.7 m-85 51.67 41.66 29.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 -93.04 -24.27 18.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -107.11 118.49 36.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.962 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.3 mt -117.04 -23.12 8.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.951 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -119.09 143.04 47.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -55.17 -41.78 72.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -52.24 -29.95 25.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -76.79 -62.44 1.64 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.419 ' CG ' ' HG ' ' A' ' 12' ' ' LEU . 24.2 t80 -50.88 -35.01 30.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -76.45 -21.06 56.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -73.83 -48.5 30.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 72' ' ' PHE . 0.3 OUTLIER -55.72 -44.72 77.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.743 ' HA ' HD12 ' A' ' 75' ' ' ILE . 7.6 t80 -57.19 -50.25 73.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 -50.2 -47.52 54.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 74' ' ' LEU . 15.2 mt -49.47 -43.83 45.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.743 HD12 ' HA ' ' A' ' 72' ' ' PHE . 26.6 mt -53.51 -46.0 59.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.513 HG11 ' HB2' ' A' ' 97' ' ' ARG . 55.6 t -71.24 -56.15 11.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.237 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.501 ' O ' ' N ' ' A' ' 80' ' ' LEU . 23.4 p -56.08 -70.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -37.33 -28.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.491 ' N ' ' O ' ' A' ' 77' ' ' SER . 6.2 t -83.76 -42.81 16.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.811 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.525 HD21 HG23 ' A' ' 94' ' ' VAL . 58.5 mt -74.36 -12.63 60.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.975 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -96.38 -27.68 14.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -83.99 -49.21 9.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.921 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -100.22 178.48 4.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.795 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.611 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -120.3 166.09 13.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.055 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.512 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 17.0 mtmt -52.2 -29.66 23.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.1 -41.65 98.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 44.9 p -69.64 174.2 5.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.511 ' O ' ' N ' ' A' ' 90' ' ' TYR . 4.1 mt -85.56 -62.14 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.493 ' N ' HG22 ' A' ' 88' ' ' ILE . 0.7 OUTLIER -38.46 -26.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.611 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 7.5 t80 -70.12 -60.96 1.97 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 56.2 mtp85 -56.29 -40.04 73.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.41 -44.02 96.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.136 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.28 -39.8 93.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.071 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.525 HG23 HD21 ' A' ' 80' ' ' LEU . 24.4 t -56.31 -54.9 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.085 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.475 ' HE ' ' NE2' ' A' ' 99' ' ' GLN . 12.1 ttt-85 -56.53 -48.77 76.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.582 HD23 ' HB2' ' A' ' 22' ' ' LYS . 41.8 mt -45.04 -51.76 9.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.513 ' HB2' HG11 ' A' ' 76' ' ' VAL . 23.4 ttt180 -62.99 -39.24 94.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -60.37 -66.32 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.475 ' NE2' ' HE ' ' A' ' 95' ' ' ARG . 32.5 mt-30 -66.18 -51.33 58.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -43.03 -35.63 2.4 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.543 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -46.32 -41.17 11.52 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.08 -42.43 89.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 0.0 111.078 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 91.5 t -57.65 -50.58 76.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 52.6 mt -70.6 -22.04 62.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -77.12 -40.23 46.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.803 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -75.74 -21.8 57.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -89.68 -30.28 18.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -58.67 -46.65 86.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -56.06 -33.76 65.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 112' ' ' GLU . 8.3 mt-30 -67.51 -64.2 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -40.56 -25.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 110' ' ' GLN . 14.8 mt-10 -87.26 -43.37 12.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 23.1 pttt -60.46 -23.25 64.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 21.4 mmt -44.28 -53.92 6.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -82.18 -95.21 0.51 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.502 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 7.2 t -137.09 122.51 19.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.928 0.394 . . . . 0.0 110.831 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -100.56 -92.18 2.11 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.513 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.65 95.45 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.711 2.274 . . . . 0.0 112.322 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.5 t -68.24 -50.94 50.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 17.7 t -65.17 -60.44 3.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.466 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.409 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.2 t -62.61 131.44 49.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.917 0.389 . . . . 0.0 110.776 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -83.74 -58.84 2.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.25 -79.66 0.35 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.481 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -98.6 74.08 2.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 110.795 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.555 ' O ' HD12 ' A' ' 10' ' ' ILE . 1.3 m -95.8 -46.41 6.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.39 -50.63 2.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.521 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.548 ' CZ ' HD11 ' A' ' 12' ' ' LEU . 66.8 t80 -53.15 -47.29 68.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.901 0.381 . . . . 0.0 110.916 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.5 mt -50.58 -51.47 47.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.594 HD12 ' H ' ' A' ' 10' ' ' ILE . 4.7 mp -53.94 -48.36 63.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.7 tp -53.61 -36.72 62.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.548 HD11 ' CZ ' ' A' ' 8' ' ' PHE . 9.9 mp -74.48 -44.78 49.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.405 ' HG2' HD21 ' A' ' 57' ' ' LEU . 80.3 mtt180 -61.08 -46.43 90.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -35.63 74.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.3 m -68.64 -45.41 71.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.437 HD13 ' SD ' ' A' ' 53' ' ' MET . 22.2 tp -53.2 -37.44 61.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.968 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -70.05 -47.57 61.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -48.57 -39.68 24.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.852 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.7 mt -65.85 -50.91 62.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -45.85 -43.73 13.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -42.22 -45.36 4.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.425 ' HB2' HD23 ' A' ' 96' ' ' LEU . 72.3 mmtt -59.98 -40.63 89.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -74.32 103.58 4.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.9 p -90.33 -34.14 15.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.89 -15.08 81.27 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.489 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 m120 58.68 35.09 24.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.789 0.328 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 88.0 mt -68.66 -38.87 79.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -92.69 -10.43 37.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 t -56.69 -13.94 2.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.846 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -141.6 152.27 62.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.657 0.742 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 137.08 34.47 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.641 2.227 . . . . 0.0 112.365 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 72.8 t -63.49 123.77 82.18 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.66 0.743 . . . . 0.0 111.113 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 136.16 32.1 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.663 2.242 . . . . 0.0 112.369 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 41.3 mt -72.97 -28.36 62.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.3 t -45.54 -43.08 11.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.83 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -90.34 -31.81 16.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.6 t -114.92 86.42 13.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.657 0.741 . . . . 0.0 111.099 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -19.93 35.28 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.344 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -116.04 32.95 5.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -60.21 -59.41 5.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.968 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 25.0 mt -64.99 -32.1 73.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -45.7 -39.24 7.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -99.91 -32.04 11.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.0 mm -101.75 120.15 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.164 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.56 -41.15 24.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -128.71 86.5 57.4 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.516 0.674 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 110.04 2.45 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.64 2.227 . . . . 0.0 112.339 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 47.3 tpp -113.34 155.51 25.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -160.06 176.82 11.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -63.88 -39.76 94.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -72.66 -51.62 18.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.6 m -56.73 -57.34 12.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.437 ' SD ' HD13 ' A' ' 16' ' ' LEU . 19.4 ptm -48.31 -43.37 33.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.406 ' C ' ' CD ' ' A' ' 54' ' ' LYS . 1.0 OUTLIER -55.72 -60.09 3.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.887 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 45.9 mm-40 -40.67 -44.84 2.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -69.39 -40.53 77.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.614 HD23 ' N ' ' A' ' 58' ' ' GLU . 2.7 tt -61.98 -51.75 66.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.614 ' N ' HD23 ' A' ' 57' ' ' LEU . 3.3 pt-20 -67.17 -18.95 65.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.71 7.68 29.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.13 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 62.42 46.34 5.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.4 mtt-85 -100.66 -25.48 14.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.481 ' CZ ' ' OD2' ' A' ' 71' ' ' ASP . 22.7 m-85 -102.89 101.39 11.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.449 ' C ' ' CE2' ' A' ' 8' ' ' PHE . 6.9 mt -101.65 -24.58 14.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -118.91 135.7 54.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 66' ' ' ASP . 12.2 t80 -43.11 -57.89 2.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 65' ' ' PHE . 5.7 m-20 -35.16 -44.77 0.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -64.6 -53.76 42.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.414 ' CG ' ' HG ' ' A' ' 12' ' ' LEU . 84.6 t80 -56.3 -34.88 66.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -72.3 -47.58 48.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -44.59 -55.76 4.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.481 ' OD2' ' CZ ' ' A' ' 62' ' ' TYR . 2.5 m-20 -47.62 -58.32 4.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -48.31 -53.24 18.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -44.55 -52.71 7.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 63.6 mt -52.6 -50.75 62.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.0 mt -41.32 -35.47 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.702 HG11 ' HB2' ' A' ' 97' ' ' ARG . 48.5 t -91.19 -47.57 14.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 80' ' ' LEU . 4.8 t -55.07 -70.3 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -40.01 -34.83 0.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 7.3 t -78.88 -35.98 42.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.678 HD12 HG12 ' A' ' 76' ' ' VAL . 78.6 mt -82.44 -8.05 59.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.83 -31.78 9.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -75.96 -52.95 9.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.484 ' HB3' HG21 ' A' ' 87' ' ' THR . 41.3 m-80 -107.51 -177.95 3.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.473 ' HA ' ' CE2' ' A' ' 90' ' ' TYR . . . -122.76 161.88 23.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.073 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.478 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 78.2 mttt -39.85 -30.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -55.62 -46.61 77.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.484 HG21 ' HB3' ' A' ' 83' ' ' ASN . 80.2 p -67.27 170.35 7.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.16 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.512 HG22 ' N ' ' A' ' 89' ' ' PHE . 4.9 mt -82.24 -64.03 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.131 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.512 ' N ' HG22 ' A' ' 88' ' ' ILE . 0.7 OUTLIER -38.6 -26.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.664 ' CE1' ' CD2' ' A' ' 80' ' ' LEU . 4.6 t80 -71.08 -64.08 0.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 60.2 mtt-85 -52.66 -37.37 58.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.33 -40.93 96.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.603 ' HB1' HG13 ' A' ' 76' ' ' VAL . . . -68.13 -39.64 82.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.491 HG23 HD21 ' A' ' 80' ' ' LEU . 15.0 t -52.47 -49.56 42.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -58.99 -54.47 46.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.425 HD23 ' HB2' ' A' ' 22' ' ' LYS . 76.2 mt -48.71 -42.08 33.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.702 ' HB2' HG11 ' A' ' 76' ' ' VAL . 55.2 ttt85 -66.25 -35.7 81.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -75.91 -66.19 0.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -62.55 -53.05 60.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -44.29 -40.21 5.89 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -43.49 -35.61 2.93 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.413 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.67 -35.01 78.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.843 0.354 . . . . 0.0 111.064 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 59.8 t -71.04 -36.33 62.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.071 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 89.8 mt -80.51 -26.78 37.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.812 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.8 mtp85 -78.28 -38.47 42.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.845 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.8 -22.7 56.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -89.36 -36.21 15.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.07 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -51.24 -45.86 62.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -57.68 -34.45 69.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -67.45 -55.08 15.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -52.77 -17.62 1.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -97.06 -39.82 9.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 10.2 pttp -61.26 -21.06 63.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.938 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 11.6 mmt -49.73 -56.73 9.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -179.04 -122.44 0.76 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.549 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.2 t -122.5 86.27 2.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.904 0.383 . . . . 0.0 110.808 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -84.79 -91.3 0.79 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.83 128.2 15.63 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.703 2.269 . . . . 0.0 112.325 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.9 t -117.13 119.03 33.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.9 m -116.93 128.37 55.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.85 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.477 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.5 m -68.75 168.02 14.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.856 0.36 . . . . 0.0 110.895 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.9 t -76.97 103.97 7.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.53 -104.65 0.18 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.468 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.8 m -126.18 78.11 1.74 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.928 0.395 . . . . 0.0 110.829 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.558 ' O ' HD12 ' A' ' 10' ' ' ILE . 13.4 p -88.2 -47.42 8.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.491 ' HA2' HD13 ' A' ' 10' ' ' ILE . . . -39.75 -43.46 2.34 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.482 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.46 ' CZ ' HD11 ' A' ' 12' ' ' LEU . 46.9 t80 -61.54 -43.28 99.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.889 0.376 . . . . 0.0 110.858 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 76.4 mt -53.29 -41.95 66.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.578 HD12 ' H ' ' A' ' 10' ' ' ILE . 4.7 mp -62.22 -43.57 98.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.511 ' CD2' ' HB2' ' A' ' 111' ' ' ALA . 44.4 tp -52.83 -39.02 62.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.46 HD11 ' CZ ' ' A' ' 8' ' ' PHE . 8.1 mp -70.36 -50.75 35.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.537 ' HG2' HD21 ' A' ' 57' ' ' LEU . 81.4 mtt180 -51.82 -42.21 62.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.42 ' C ' ' HD2' ' A' ' 14' ' ' LYS . 1.0 OUTLIER -71.13 -40.39 71.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 53.0 m -62.84 -54.01 45.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.108 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.6 tp -45.57 -46.81 14.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -60.09 -41.24 92.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -61.23 -40.02 92.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.707 HD22 ' CE1' ' A' ' 72' ' ' PHE . 44.2 mt -66.39 -45.92 78.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 23' ' ' ASP . 6.4 mm-40 -54.56 -46.86 73.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 20' ' ' GLN . 17.6 mt-10 -37.27 -48.09 0.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt -54.35 -43.25 71.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 53.1 t0 -58.67 114.6 2.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.3 p -104.39 -42.43 5.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.99 11.32 48.88 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.466 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.477 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 8.7 p-10 40.1 33.42 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 110.916 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 80.1 mt -72.87 -37.78 55.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.166 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -99.56 -17.25 17.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 t -55.11 -17.37 3.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -131.1 152.44 80.65 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.668 0.746 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 137.69 36.0 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.674 2.249 . . . . 0.0 112.304 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.7 t -59.19 114.61 9.6 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.687 0.756 . . . . 0.0 111.143 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 119.85 6.73 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.744 2.296 . . . . 0.0 112.311 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.36 -31.7 71.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.9 t -43.15 -39.93 3.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -94.71 -31.61 13.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.447 ' CG1' ' OH ' ' A' ' 82' ' ' TYR . 2.1 t -112.25 86.87 8.4 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.617 0.722 . . . . 0.0 111.065 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -18.47 36.96 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.638 2.226 . . . . 0.0 112.38 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -119.43 34.93 5.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -57.85 -55.81 30.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.466 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 26.8 mt -69.41 -42.37 75.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.96 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 41' ' ' LEU . 3.8 m-20 -34.41 -39.82 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -99.63 -32.6 11.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.8 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.0 mm -103.73 122.55 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.2 -49.16 10.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.576 ' HD2' HD13 ' A' ' 74' ' ' LEU . 0.8 OUTLIER -115.2 86.73 14.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.614 0.721 . . . . 0.0 110.818 179.862 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.466 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 54.3 Cg_endo -69.78 143.79 51.85 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.75 2.3 . . . . 0.0 112.326 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.411 ' CE ' ' HE3' ' A' ' 46' ' ' LYS . 34.3 tpp -148.29 164.17 34.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -164.36 172.12 13.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -67.93 -25.12 65.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.478 ' C ' ' CD1' ' A' ' 51' ' ' PHE . 1.4 t80 -90.85 -35.3 14.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 42.6 m -61.86 -53.9 49.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.176 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 8.0 ptm -55.43 -42.75 74.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.01 -50.22 58.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -53.33 -54.76 31.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.973 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -56.82 -45.33 82.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.537 HD21 ' HG2' ' A' ' 13' ' ' ARG . 3.4 tt -57.22 -44.22 83.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.411 ' N ' HD23 ' A' ' 57' ' ' LEU . 13.8 mm-40 -68.06 -17.89 64.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.46 15.42 23.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.155 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 56.51 44.16 24.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -91.82 -27.71 17.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.514 ' CE1' ' OD2' ' A' ' 71' ' ' ASP . 27.1 m-85 -101.71 97.96 8.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.998 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.7 mt -97.02 -27.66 14.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -115.15 128.66 56.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.411 ' CE2' ' HD3' ' A' ' 108' ' ' ARG . 64.0 t80 -38.97 -53.74 1.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 65' ' ' PHE . 9.4 t70 -37.84 -48.5 1.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -59.65 -55.69 31.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.805 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.46 ' CD2' ' HG ' ' A' ' 12' ' ' LEU . 19.9 t80 -55.4 -24.44 30.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -83.35 -44.63 14.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -47.1 -52.86 14.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.514 ' OD2' ' CE1' ' A' ' 62' ' ' TYR . 19.0 m-20 -49.01 -63.08 1.2 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.707 ' CE1' HD22 ' A' ' 19' ' ' LEU . 57.5 t80 -42.54 -46.69 4.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -53.99 -43.13 69.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.849 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.576 HD13 ' HD2' ' A' ' 46' ' ' LYS . 50.4 mt -63.17 -44.89 94.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.408 HD12 ' HA ' ' A' ' 72' ' ' PHE . 98.9 mt -48.56 -33.8 5.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.654 HG11 ' HB2' ' A' ' 97' ' ' ARG . 93.6 t -89.62 -43.19 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.13 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 79' ' ' CYS . 1.2 t -62.31 -70.43 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.795 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.437 ' ND2' ' HB3' ' A' ' 74' ' ' LEU . 89.7 m-20 -36.18 -32.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 77' ' ' SER . 3.6 t -80.57 -47.48 14.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.597 HD12 HG12 ' A' ' 76' ' ' VAL . 42.4 mt -63.7 -20.26 65.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.8 tttt -91.29 -44.32 9.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.447 ' OH ' ' CG1' ' A' ' 37' ' ' VAL . 4.8 t80 -59.43 -63.19 1.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.638 ' HB3' HG21 ' A' ' 87' ' ' THR . 1.1 m-80 -100.41 -178.83 3.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.629 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -122.68 162.05 22.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.056 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.57 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 72.9 mttt -37.48 -37.91 0.22 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -50.26 -48.27 54.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.824 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.638 HG21 ' HB3' ' A' ' 83' ' ' ASN . 44.0 p -66.89 165.5 15.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.109 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.52 HG22 ' N ' ' A' ' 89' ' ' PHE . 1.8 mt -77.1 -62.18 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.52 ' N ' HG22 ' A' ' 88' ' ' ILE . 0.6 OUTLIER -38.53 -26.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.846 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.629 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 3.6 t80 -71.77 -58.34 3.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 31.4 mtt-85 -58.69 -37.68 76.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.77 -36.98 86.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.18 -39.75 75.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 25.5 t -55.2 -35.71 37.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.153 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 5.6 ttp-105 -67.17 -54.4 21.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 96.4 mt -49.23 -47.37 46.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.654 ' HB2' HG11 ' A' ' 76' ' ' VAL . 43.5 ttt180 -62.64 -34.65 77.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -76.01 -67.69 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -63.33 -50.09 71.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 103' ' ' VAL . . . -41.96 -45.54 4.89 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.529 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -37.36 -48.32 1.61 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.443 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.63 -42.59 79.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.777 0.322 . . . . 0.0 111.096 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 100' ' ' GLY . 78.6 t -63.15 -40.0 87.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.11 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 79.6 mt -77.33 -26.53 52.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.6 mtt85 -76.22 -43.11 43.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.844 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -69.85 -26.8 64.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.858 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -90.81 -26.2 19.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.084 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.411 ' HD3' ' CE2' ' A' ' 65' ' ' PHE . 10.0 tpt180 -59.23 -48.76 80.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -56.6 -33.82 66.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -66.25 -55.34 16.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.511 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . . . -55.58 -14.0 1.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.059 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -103.77 -34.74 8.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -66.2 -20.48 66.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 10.1 mmt -45.56 -52.85 9.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -129.22 -104.81 1.15 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 89.4 p -173.21 110.53 0.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.845 0.355 . . . . 0.0 110.815 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -127.48 -92.6 0.78 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.517 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 95.65 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.664 2.243 . . . . 0.0 112.332 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 20.3 m -88.32 145.65 25.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 92.7 p -147.51 110.83 4.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.818 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.482 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.3 p -148.57 148.71 30.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.927 0.394 . . . . 0.0 110.783 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.0 m -101.62 128.16 48.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.848 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.0 -54.49 0.52 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.493 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -82.87 43.23 0.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.878 0.371 . . . . 0.0 110.864 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 m -55.82 -45.46 78.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -40.11 -51.47 3.5 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.512 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.474 ' O ' HD13 ' A' ' 12' ' ' LEU . 57.5 t80 -53.41 -35.84 60.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.89 0.376 . . . . 0.0 110.79 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.5 mt -61.26 -46.67 89.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.98 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.615 HD12 ' H ' ' A' ' 10' ' ' ILE . 4.3 mp -61.45 -33.84 58.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.06 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.66 -31.09 71.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.698 ' HB3' HD12 ' A' ' 57' ' ' LEU . 10.5 mp -76.14 -54.36 6.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.75 ' HG2' HD21 ' A' ' 57' ' ' LEU . 89.0 mtt180 -50.83 -40.36 55.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.827 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.46 ' HD2' ' N ' ' A' ' 15' ' ' THR . 0.6 OUTLIER -75.2 -45.13 42.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.46 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 27.5 m -60.01 -34.35 73.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.156 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.626 HD23 ' HD3' ' A' ' 54' ' ' LYS . 54.5 tp -62.74 -41.29 99.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -62.78 -46.34 88.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -54.71 -35.6 63.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.404 ' HG ' HG11 ' A' ' 103' ' ' VAL . 67.4 mt -71.36 -39.62 71.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 21' ' ' GLU . 9.2 mt-30 -55.44 -48.2 74.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 20' ' ' GLN . 12.2 mm-40 -36.33 -49.94 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.44 ' HD2' ' CB ' ' A' ' 99' ' ' GLN . 24.8 mmtm -49.29 -46.37 46.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 59.9 t0 -54.89 118.89 4.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.822 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.4 p -105.6 -48.06 3.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.64 9.09 45.19 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.472 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 4.8 p-10 40.56 33.73 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.832 0.349 . . . . 0.0 110.855 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.694 HG21 ' HD1' ' A' ' 89' ' ' PHE . 74.2 mt -71.57 -37.31 63.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.426 ' O ' ' N ' ' A' ' 30' ' ' GLU . 0.5 OUTLIER -96.02 -23.11 16.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -42.32 -24.19 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.901 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 28' ' ' PHE . 12.0 mt-10 -129.75 151.57 78.35 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.678 0.751 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 134.87 29.01 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.591 2.194 . . . . 0.0 112.364 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 83.4 t -56.76 119.84 32.82 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.635 0.731 . . . . 0.0 111.126 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.65 127.73 15.11 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.669 2.246 . . . . 0.0 112.413 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 69.2 mt -69.23 -31.32 69.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.9 t -44.01 -39.88 4.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -95.82 -28.23 14.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.5 t -115.75 84.55 12.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.595 0.712 . . . . 0.0 111.147 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -18.01 37.23 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.692 2.261 . . . . 0.0 112.328 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -117.34 32.57 6.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.48 ' CE2' ' HB3' ' A' ' 47' ' ' PRO . 22.4 t80 -57.57 -45.37 85.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.442 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 11.0 mt -79.44 -30.42 42.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -40.23 -38.17 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 46.7 m-70 -109.1 -31.15 7.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.438 HG23 ' OD1' ' A' ' 78' ' ' ASN . 19.0 mm -95.02 100.91 11.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -59.89 -46.41 89.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.4 ' HA ' ' HD2' ' A' ' 47' ' ' PRO . 40.1 tttt -132.24 91.91 30.26 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.611 0.719 . . . . 0.0 110.914 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.48 ' HB3' ' CE2' ' A' ' 40' ' ' TYR . 53.4 Cg_endo -69.76 140.05 41.73 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.593 2.195 . . . . 0.0 112.363 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 27.6 tpp -141.27 155.74 45.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -153.23 177.99 10.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.914 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -70.24 -32.93 71.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.449 ' C ' ' CD1' ' A' ' 51' ' ' PHE . 1.1 t80 -87.66 -38.99 15.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.5 m -57.82 -53.42 58.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.19 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 15.5 ptm -55.38 -42.33 73.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.626 ' HD3' HD23 ' A' ' 16' ' ' LEU . 8.6 tptm -53.86 -48.84 69.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -51.45 -48.39 62.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -65.98 -37.89 87.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.75 HD21 ' HG2' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -61.43 -43.74 98.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.692 ' N ' HD23 ' A' ' 57' ' ' LEU . 36.6 mt-10 -72.18 -12.98 61.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.09 12.5 30.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.064 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 59.64 41.42 18.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.979 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.6 mtt85 -91.92 -32.46 15.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.412 ' CZ ' ' OD2' ' A' ' 71' ' ' ASP . 23.5 m-85 -100.33 102.82 14.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.964 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.7 mt -99.24 -27.16 13.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -117.59 145.57 44.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -52.87 -53.88 42.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -38.67 -36.49 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -73.71 -55.46 6.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.478 ' CG ' ' HG ' ' A' ' 12' ' ' LEU . 83.1 t80 -53.14 -31.71 43.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -79.24 -43.55 23.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.835 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -46.55 -43.23 16.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.412 ' OD2' ' CZ ' ' A' ' 62' ' ' TYR . 4.0 m-20 -61.1 -60.35 3.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -43.73 -42.45 5.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -56.45 -46.48 80.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.462 ' HB3' ' ND2' ' A' ' 78' ' ' ASN . 34.4 mt -52.23 -58.33 6.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.426 ' C ' ' O ' ' A' ' 74' ' ' LEU . 48.9 mt -35.84 -48.07 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.472 HG11 ' HB2' ' A' ' 97' ' ' ARG . 48.2 t -71.63 -49.14 48.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 80' ' ' LEU . 5.4 t -60.55 -67.8 0.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.462 ' ND2' ' HB3' ' A' ' 74' ' ' LEU . 89.7 m-20 -38.11 -35.69 0.17 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.5 t -78.13 -40.47 37.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.918 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 77' ' ' SER . 85.6 mt -72.34 -12.05 60.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -100.57 -40.86 7.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -73.77 -41.16 62.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.484 ' ND2' ' HB2' ' A' ' 89' ' ' PHE . 69.7 m-80 -94.0 -174.49 3.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.933 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -121.47 -174.98 2.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.073 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.526 ' HD3' ' CZ ' ' A' ' 90' ' ' TYR . 8.3 mmtp -75.51 -20.66 58.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -102.99 45.84 0.94 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 20.7 p -135.59 164.46 27.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.193 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 90' ' ' TYR . 8.9 mt -76.49 -66.39 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.178 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.694 ' HD1' HG21 ' A' ' 27' ' ' ILE . 5.6 m-85 -38.29 -26.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.526 ' CZ ' ' HD3' ' A' ' 85' ' ' LYS . 2.7 t80 -72.5 -55.88 6.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 -60.0 -36.7 77.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.33 -37.73 88.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.14 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.06 -37.94 64.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.1 t -54.59 -49.22 68.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.151 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -60.46 -40.83 92.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.415 HD23 ' HB2' ' A' ' 22' ' ' LYS . 20.3 mt -57.94 -44.72 87.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.472 ' HB2' HG11 ' A' ' 76' ' ' VAL . 59.1 ttt-85 -65.79 -39.69 91.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -68.44 -63.69 1.01 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.44 ' CB ' ' HD2' ' A' ' 22' ' ' LYS . 48.0 mt-30 -66.09 -50.6 63.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -39.05 -43.32 1.79 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.458 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -43.24 -41.34 4.94 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.477 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.6 -42.34 98.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.839 0.352 . . . . 0.0 111.121 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.404 HG11 ' HG ' ' A' ' 19' ' ' LEU . 96.1 t -67.11 -41.27 86.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 56.7 mt -73.49 -35.51 65.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.5 mtt85 -69.89 -46.52 65.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -62.28 -30.97 71.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.958 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -85.97 -27.49 24.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -58.14 -51.3 70.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -50.99 -33.42 24.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -70.93 -51.62 24.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.24 -13.99 6.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.12 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -100.52 -44.15 5.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.9 pttp -55.39 -24.07 27.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 8.5 mmt -44.23 -58.27 2.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -154.42 112.05 0.51 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.508 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 30.6 t -87.51 90.12 8.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.895 0.379 . . . . 0.0 110.85 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -112.48 -93.29 2.09 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.465 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.89 -23.76 29.83 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.652 2.234 . . . . 0.0 112.307 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 33.0 m -58.09 122.52 13.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.856 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.8 p -134.5 121.59 21.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 -179.952 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 m -138.25 140.64 39.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.891 0.377 . . . . 0.0 110.818 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -103.2 150.68 23.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.907 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.06 94.75 0.1 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.563 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -99.9 43.91 1.04 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.883 0.373 . . . . 0.0 110.865 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 9' ' ' LEU . 13.1 m -54.41 -48.72 71.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -34.37 -51.43 0.73 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.531 ' CE2' ' O ' ' A' ' 63' ' ' LEU . 53.3 t80 -54.6 -42.76 71.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.92 0.39 . . . . 0.0 110.875 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 6' ' ' SER . 24.6 mt -54.85 -50.42 68.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.941 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.458 HD12 ' H ' ' A' ' 10' ' ' ILE . 3.5 mp -52.95 -42.53 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.454 HD23 ' HB2' ' A' ' 111' ' ' ALA . 43.1 tp -54.97 -38.46 67.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.65 ' HB3' HD12 ' A' ' 57' ' ' LEU . 10.0 mp -70.91 -44.51 66.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.628 ' HG2' HD21 ' A' ' 57' ' ' LEU . 61.6 mtt-85 -61.37 -48.29 81.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -36.05 73.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.4 m -69.43 -39.12 78.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.563 HD23 ' HD3' ' A' ' 54' ' ' LYS . 27.3 tp -55.17 -39.8 69.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -68.46 -49.56 58.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.434 ' HB2' HG11 ' A' ' 103' ' ' VAL . 31.7 mt-30 -44.16 -42.04 6.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.593 HD13 ' CD2' ' A' ' 72' ' ' PHE . 38.5 mt -65.23 -50.21 66.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -45.15 -40.36 7.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -48.09 -44.82 32.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.52 ' HB2' HD23 ' A' ' 96' ' ' LEU . 26.3 mmtm -60.38 -37.93 82.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.426 ' HB2' HD21 ' A' ' 96' ' ' LEU . 43.8 t0 -73.28 79.28 1.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 65.2 p -64.39 -38.18 90.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.08 -9.01 87.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.469 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 26' ' ' ASN . 1.5 p-10 45.49 34.16 1.54 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.771 0.319 . . . . 0.0 110.848 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.49 HG21 ' HD1' ' A' ' 89' ' ' PHE . 80.1 mt -70.23 -36.61 68.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.084 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -94.7 -5.25 45.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -58.77 -12.85 4.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -138.23 152.26 71.26 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.609 0.718 . . . . 0.0 110.919 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 135.15 29.78 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.643 2.229 . . . . 0.0 112.325 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 81.0 t -61.44 123.88 78.39 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.625 0.726 . . . . 0.0 111.094 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 136.11 31.96 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.646 2.23 . . . . 0.0 112.327 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.3 mt -70.94 -27.73 63.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.5 t -45.13 -45.49 11.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.805 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -89.42 -31.47 17.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.4 t -114.5 86.23 12.16 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.601 0.715 . . . . 0.0 111.145 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -19.26 36.52 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.715 2.277 . . . . 0.0 112.319 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.1 33.51 5.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.511 ' CE2' ' HB3' ' A' ' 47' ' ' PRO . 33.1 t80 -60.12 -57.26 13.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.447 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 24.0 mt -65.16 -41.04 95.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.004 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -39.57 -43.81 1.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.818 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -97.24 -37.64 10.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.7 mm -96.62 99.89 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.5 mmtt -60.56 -52.64 64.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.436 ' HE2' ' CD1' ' A' ' 74' ' ' LEU . 44.1 tttt -117.81 87.88 28.68 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.618 0.723 . . . . 0.0 110.87 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.511 ' HB3' ' CE2' ' A' ' 40' ' ' TYR . 53.5 Cg_endo -69.84 101.53 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.693 2.262 . . . . 0.0 112.264 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 43.5 tpp -98.24 154.88 17.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -154.9 164.77 38.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -59.45 -36.27 75.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.829 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -85.49 -36.76 20.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 62.4 m -62.67 -43.86 97.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.508 ' SD ' HD13 ' A' ' 16' ' ' LEU . 18.0 ptm -62.58 -39.56 94.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.563 ' HD3' HD23 ' A' ' 16' ' ' LEU . 14.3 tptp -59.52 -46.17 89.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.939 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -53.51 -50.53 65.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -62.86 -35.75 81.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.65 HD12 ' HB3' ' A' ' 12' ' ' LEU . 0.4 OUTLIER -65.49 -45.16 84.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.949 179.891 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.621 ' N ' HD23 ' A' ' 57' ' ' LEU . 14.4 mt-10 -66.78 -13.87 61.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.69 8.81 44.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.083 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 62.28 44.16 7.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.845 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.5 mtt-85 -94.88 -24.77 16.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -105.66 103.68 13.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.963 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.531 ' O ' ' CE2' ' A' ' 8' ' ' PHE . 8.2 mt -101.08 -28.28 12.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -115.2 147.03 40.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -55.18 -50.65 68.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -43.24 -35.47 1.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -72.99 -57.82 3.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.495 ' CG ' ' HG ' ' A' ' 12' ' ' LEU . 64.1 t80 -53.01 -34.52 56.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -73.1 -50.5 22.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -40.66 -51.14 3.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.96 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.22 -59.53 4.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.593 ' CD2' HD13 ' A' ' 19' ' ' LEU . 34.8 t80 -46.08 -45.05 16.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -54.49 -46.15 73.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.964 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.436 ' CD1' ' HE2' ' A' ' 46' ' ' LYS . 29.4 mt -54.37 -59.7 4.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.838 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 74' ' ' LEU . 66.7 mt -36.12 -35.23 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.16 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.574 HG12 HD12 ' A' ' 80' ' ' LEU . 70.2 t -86.59 -48.28 15.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 80' ' ' LEU . 1.7 t -61.92 -66.54 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.808 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 77' ' ' SER . 95.2 m-20 -37.6 -32.91 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.403 ' N ' ' O ' ' A' ' 77' ' ' SER . 11.9 t -80.83 -42.59 21.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.574 HD12 HG12 ' A' ' 76' ' ' VAL . 19.0 mt -74.34 -10.13 59.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.4 ptmm? -101.14 -25.28 14.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.863 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -84.3 -50.28 7.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -109.33 -175.0 2.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.508 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -127.0 159.26 34.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.076 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.56 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 20.7 mttp -35.87 -35.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 84' ' ' ALA . 8.3 t70 -49.59 -49.28 47.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 82.3 p -67.15 172.69 4.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.16 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.514 ' O ' ' N ' ' A' ' 90' ' ' TYR . 7.4 mt -84.17 -64.34 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.21 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.49 ' HD1' HG21 ' A' ' 27' ' ' ILE . 0.7 OUTLIER -37.92 -26.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.56 ' CD1' ' HA ' ' A' ' 85' ' ' LYS . 3.2 t80 -70.48 -56.44 6.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.6 mtp85 -58.02 -48.13 81.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.86 -44.78 70.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.136 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.403 ' HB1' HG13 ' A' ' 76' ' ' VAL . . . -59.61 -41.4 90.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.9 t -56.02 -46.69 80.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.169 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -61.96 -51.58 67.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.52 HD23 ' HB2' ' A' ' 22' ' ' LYS . 13.9 mt -50.74 -43.23 58.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.453 ' HB2' HG11 ' A' ' 76' ' ' VAL . 46.1 ttt85 -63.27 -38.83 92.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -72.0 -60.16 2.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -64.71 -57.14 9.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -44.08 -34.27 3.08 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.454 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -48.62 -38.49 21.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.509 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.45 -37.31 84.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.33 . . . . 0.0 111.062 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.47 ' HB ' HD23 ' A' ' 19' ' ' LEU . 57.6 t -69.1 -36.51 73.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 82.5 mt -82.08 -25.74 34.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.955 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 -79.53 -32.56 42.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.418 ' HA ' ' NE ' ' A' ' 109' ' ' ARG . 7.7 pt20 -82.32 -22.43 35.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -92.76 -22.76 19.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 44.1 ttt-85 -59.7 -50.74 72.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.418 ' NE ' ' HA ' ' A' ' 106' ' ' GLN . 15.0 ptp180 -53.7 -33.75 56.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -64.52 -61.26 2.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.454 ' HB2' HD23 ' A' ' 11' ' ' LEU . . . -49.81 -17.99 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.166 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -91.87 -38.67 12.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 15.2 pttm -66.25 -27.51 68.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 11.3 mmt -40.93 -63.62 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.04 -158.19 15.25 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.508 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 42.6 m -94.94 90.89 6.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.914 0.388 . . . . 0.0 110.893 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -77.21 -158.09 9.09 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.475 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 157.12 61.56 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.707 2.271 . . . . 0.0 112.373 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.2 t -158.07 179.18 9.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.6 m -94.58 111.69 23.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.802 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.461 -179.951 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.0 m -109.54 174.33 5.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.891 0.377 . . . . 0.0 110.852 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.3 p -126.52 -57.05 1.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.43 45.83 0.42 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.494 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -66.32 82.3 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.822 0.344 . . . . 0.0 110.834 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 p -81.01 -54.57 5.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.471 ' HA2' HD13 ' A' ' 10' ' ' ILE . . . -39.56 -47.55 2.97 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.439 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.466 ' CE2' ' O ' ' A' ' 63' ' ' LEU . 75.4 t80 -54.04 -39.9 66.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.932 0.396 . . . . 0.0 110.898 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.495 ' CD1' ' CE2' ' A' ' 60' ' ' TYR . 74.4 mt -57.57 -36.96 72.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.471 HD13 ' HA2' ' A' ' 7' ' ' GLY . 3.6 mp -67.18 -40.71 85.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.558 ' CD2' ' HB2' ' A' ' 111' ' ' ALA . 27.5 tp -53.58 -39.41 64.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.75 ' HB3' HD12 ' A' ' 57' ' ' LEU . 3.0 mp -69.61 -47.19 64.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.794 ' HG2' HD21 ' A' ' 57' ' ' LEU . 13.7 mtp-105 -57.53 -37.93 73.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -77.29 -39.58 47.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.0 m -64.49 -44.24 91.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.661 HD13 ' SD ' ' A' ' 53' ' ' MET . 26.9 tp -53.67 -38.89 64.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -66.34 -43.09 87.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -57.64 -32.9 67.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.938 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.481 HD22 ' CE1' ' A' ' 72' ' ' PHE . 57.0 mt -69.99 -43.35 71.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -56.21 -37.36 69.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.97 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -43.71 -36.68 2.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -75.08 -35.86 61.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -66.88 114.21 5.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.958 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 47.8 p -117.77 -28.27 6.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.0 3.15 86.52 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.509 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 41.87 44.91 3.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.759 0.314 . . . . 0.0 110.881 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.492 HG21 ' CD1' ' A' ' 89' ' ' PHE . 77.0 mt -91.63 -36.15 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -99.31 -18.79 17.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.845 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -50.09 -18.89 0.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -134.11 152.1 77.76 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.703 0.763 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 130.43 19.26 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.712 2.275 . . . . 0.0 112.338 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.9 t -51.41 121.79 18.0 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.617 0.722 . . . . 0.0 111.104 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 137.39 35.39 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.69 2.26 . . . . 0.0 112.314 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 70.5 mt -74.28 -21.98 59.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.1 t -51.78 -43.85 63.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -91.98 -28.04 17.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.4 t -117.53 87.39 25.43 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.657 0.741 . . . . 0.0 111.11 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -25.37 28.29 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.637 2.225 . . . . 0.0 112.303 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -111.56 32.39 5.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.926 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -55.85 -55.51 31.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.956 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.465 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 36.5 mt -69.34 -39.44 78.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.936 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -39.8 -33.75 0.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -106.42 -32.36 8.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.534 HG23 ' OD1' ' A' ' 78' ' ' ASN . 35.9 mm -100.14 116.56 43.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.078 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -75.55 -46.66 30.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.43 ' HG2' HD13 ' A' ' 74' ' ' LEU . 48.3 tttp -124.27 87.23 53.96 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.588 0.708 . . . . 0.0 110.89 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.465 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 53.6 Cg_endo -69.77 114.93 3.87 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.643 2.229 . . . . 0.0 112.424 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.412 ' O ' ' CG ' ' A' ' 49' ' ' ASP . 46.5 tpp -112.95 163.21 14.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.781 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.412 ' CG ' ' O ' ' A' ' 48' ' ' MET . 5.7 m-20 -161.12 172.64 16.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -66.6 -35.09 79.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -84.61 -42.83 15.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.8 m -58.83 -52.32 66.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.661 ' SD ' HD13 ' A' ' 16' ' ' LEU . 21.4 ptm -53.84 -44.96 70.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.439 ' N ' ' HG3' ' A' ' 53' ' ' MET . 12.6 tptm -54.01 -52.56 60.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -47.0 -51.56 16.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -62.87 -34.87 78.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.794 HD21 ' HG2' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -64.7 -42.71 95.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.694 ' N ' HD23 ' A' ' 57' ' ' LEU . 32.7 mt-10 -77.46 -12.6 59.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.01 9.18 36.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.082 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.495 ' CE2' ' CD1' ' A' ' 9' ' ' LEU . 92.3 m-85 62.08 44.16 8.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.8 mtt-85 -99.81 -25.03 14.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.536 ' CZ ' ' OD2' ' A' ' 71' ' ' ASP . 17.2 m-85 -105.27 101.83 11.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.466 ' O ' ' CE2' ' A' ' 8' ' ' PHE . 8.6 mt -99.84 -28.58 13.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -114.68 149.81 36.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.936 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.498 ' CD2' ' HG3' ' A' ' 108' ' ' ARG . 22.4 t80 -56.54 -41.26 76.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -51.76 -36.09 46.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -67.96 -60.93 2.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.493 ' CD2' ' HG ' ' A' ' 12' ' ' LEU . 21.1 t80 -54.07 -36.73 63.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -66.55 -47.21 73.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -49.65 -50.29 43.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.536 ' OD2' ' CZ ' ' A' ' 62' ' ' TYR . 4.2 m-20 -50.3 -64.37 0.83 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.64 ' CD2' HD11 ' A' ' 104' ' ' LEU . 15.2 t80 -45.38 -49.16 13.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -48.51 -49.44 35.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.953 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.43 HD13 ' HG2' ' A' ' 46' ' ' LYS . 41.4 mt -54.01 -52.01 62.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.937 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 75.5 mt -40.14 -37.79 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.643 HG11 ' HB2' ' A' ' 97' ' ' ARG . 60.1 t -87.57 -48.42 15.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.145 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 80' ' ' LEU . 19.0 m -57.01 -68.04 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.534 ' OD1' HG23 ' A' ' 44' ' ' ILE . 76.6 m-20 -34.49 -36.23 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 77' ' ' SER . 35.6 t -77.42 -47.67 19.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 77' ' ' SER . 66.5 mt -69.17 -10.59 58.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.936 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -104.34 -29.46 10.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -85.52 -51.52 6.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -104.59 178.62 4.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.64 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -117.83 -178.77 3.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.404 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 78.4 mttt -63.01 -23.36 67.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -63.15 -39.0 93.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 80.6 p -73.73 164.7 26.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.16 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 90' ' ' TYR . 4.5 mt -78.01 -63.37 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.11 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.505 ' N ' HG22 ' A' ' 88' ' ' ILE . 0.7 OUTLIER -38.29 -26.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.64 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 3.4 t80 -72.78 -58.63 3.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -59.52 -28.03 66.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.4 -39.09 62.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.112 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.566 ' HB1' HG13 ' A' ' 76' ' ' VAL . . . -68.04 -36.58 80.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.065 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.6 t -54.82 -56.93 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.167 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -51.85 -50.33 61.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 100' ' ' GLY . 29.1 mt -50.87 -50.66 56.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.643 ' HB2' HG11 ' A' ' 76' ' ' VAL . 78.6 ttt-85 -56.65 -37.61 71.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -72.7 -63.66 1.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -67.27 -55.44 13.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.906 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -44.55 -34.75 3.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.509 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -50.97 -42.0 46.52 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.37 -26.03 64.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.786 0.327 . . . . 0.0 111.084 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 71.0 t -77.13 -43.59 31.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.147 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.64 HD11 ' CD2' ' A' ' 72' ' ' PHE . 50.2 mt -73.1 -34.02 65.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 66.0 mtt180 -73.86 -34.64 64.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -80.52 -18.41 48.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -92.08 -29.82 16.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.081 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.498 ' HG3' ' CD2' ' A' ' 65' ' ' PHE . 14.5 ttm180 -55.53 -46.67 77.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -55.97 -33.85 65.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -65.55 -59.4 4.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.558 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . . . -48.09 -20.01 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.089 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -92.09 -45.23 8.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.886 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.2 ptmm? -60.53 -29.43 69.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.431 ' CE ' ' HA ' ' A' ' 8' ' ' PHE . 51.1 mtt -40.77 -49.27 3.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -85.7 142.26 19.24 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.527 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 8.4 t -71.62 91.3 1.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.84 0.352 . . . . 0.0 110.878 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -142.38 -100.84 0.39 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.46 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -50.79 0.44 Allowed 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.741 2.294 . . . . 0.0 112.372 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 31.6 t -78.69 131.08 36.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.792 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 32.9 t -71.1 155.61 40.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.871 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.468 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 t -79.15 137.17 37.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.89 0.376 . . . . 0.0 110.831 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.8 m -108.88 -46.24 3.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.865 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.97 117.06 2.63 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.498 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m -90.86 46.28 1.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.835 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 9' ' ' LEU . 1.4 m -68.31 -48.28 65.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.856 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -36.09 -48.43 1.1 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.439 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -56.51 -42.13 77.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.853 0.359 . . . . 0.0 110.881 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.546 HD11 ' CE2' ' A' ' 60' ' ' TYR . 17.9 mt -56.74 -38.95 73.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.7 mp -66.56 -36.92 78.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.126 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.468 HD23 ' HB2' ' A' ' 111' ' ' ALA . 62.7 tp -58.3 -34.09 70.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.804 ' HB3' HD12 ' A' ' 57' ' ' LEU . 3.4 mp -76.75 -45.85 27.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.914 ' HG2' HD21 ' A' ' 57' ' ' LEU . 50.9 mtp180 -61.17 -40.2 92.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.11 -35.83 61.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.8 m -69.16 -46.97 66.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.169 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.552 HD23 ' HD3' ' A' ' 54' ' ' LYS . 56.3 tp -46.76 -43.98 18.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -64.3 -57.04 10.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.971 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -41.42 -33.14 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.555 ' HG ' HG11 ' A' ' 103' ' ' VAL . 29.6 mt -75.13 -42.26 56.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -55.49 -45.93 76.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.468 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -40.91 -42.02 1.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.982 0.42 . . . . 0.0 110.922 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -56.79 -44.01 81.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -71.19 112.76 7.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.6 p -97.03 -31.71 12.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.147 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.35 -11.01 82.79 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.542 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 m120 56.24 41.3 29.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.814 0.34 . . . . 0.0 110.862 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 73.2 mt -74.57 -44.56 47.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -93.58 -15.48 25.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -48.63 -20.56 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.806 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -131.86 152.06 79.63 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.603 0.716 . . . . 0.0 110.943 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 135.89 31.66 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.72 2.28 . . . . 0.0 112.369 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 77.7 t -67.2 121.74 79.76 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.69 0.757 . . . . 0.0 111.089 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 129.47 17.56 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.703 2.269 . . . . 0.0 112.261 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 69.8 mt -64.5 -29.58 70.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.0 t -49.91 -38.72 37.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -89.85 -33.32 16.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.6 t -119.75 83.82 29.78 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.639 0.733 . . . . 0.0 111.107 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -18.28 36.78 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.7 2.267 . . . . 0.0 112.276 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -110.53 25.68 11.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.84 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -57.62 -54.61 44.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.411 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 17.6 mt -71.12 -37.61 72.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -38.45 -42.09 0.71 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 40.2 m80 -99.67 -37.05 9.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.9 mm -91.85 121.44 42.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.202 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 47.2 mmtt -79.03 -43.77 23.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.424 ' HE2' ' CD1' ' A' ' 74' ' ' LEU . 64.8 tttt -133.11 86.99 40.67 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.626 0.727 . . . . 0.0 110.945 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.411 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 53.2 Cg_endo -69.72 148.07 64.51 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.707 2.271 . . . . 0.0 112.298 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 42.7 tpp -147.48 164.1 34.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -157.2 -179.12 7.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -75.62 -26.47 57.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -91.76 -35.48 14.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.81 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.7 m -63.6 -50.7 68.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.172 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.452 ' HE3' ' OD1' ' A' ' 71' ' ' ASP . 11.0 ptm -56.63 -41.28 76.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.552 ' HD3' HD23 ' A' ' 16' ' ' LEU . 13.3 tptm -52.88 -49.89 64.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.932 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -51.01 -52.86 38.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -62.54 -38.57 90.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.914 HD21 ' HG2' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -59.8 -42.72 94.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.653 ' N ' HD23 ' A' ' 57' ' ' LEU . 27.4 mt-10 -76.1 -10.78 59.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.93 13.65 29.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.091 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.546 ' CE2' HD11 ' A' ' 9' ' ' LEU . 37.1 m-85 58.15 38.53 26.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.4 mtt180 -89.83 -24.2 21.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -103.29 93.85 5.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.1 mt -92.32 -25.6 18.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -123.26 137.58 54.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -45.47 -43.97 11.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -43.88 -34.73 1.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -73.97 -60.49 2.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.48 ' CG ' ' HG ' ' A' ' 12' ' ' LEU . 66.7 t80 -52.45 -20.65 3.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.87 -40.63 12.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.837 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -56.99 -55.17 38.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.452 ' OD1' ' HE3' ' A' ' 53' ' ' MET . 0.5 OUTLIER -50.5 -51.17 49.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.515 ' HA ' HD12 ' A' ' 75' ' ' ILE . 5.4 t80 -54.07 -41.55 68.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -60.66 -37.22 80.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.424 ' CD1' ' HE2' ' A' ' 46' ' ' LYS . 30.0 mt -62.4 -45.96 90.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.515 HD12 ' HA ' ' A' ' 72' ' ' PHE . 70.9 mt -46.63 -39.75 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.815 HG13 ' HB1' ' A' ' 93' ' ' ALA . 61.1 t -85.78 -49.06 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 78' ' ' ASN . 7.2 t -55.27 -68.94 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 77' ' ' SER . 92.3 m-20 -35.86 -37.58 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.976 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.5 t -74.69 -47.47 31.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.608 ' CD2' ' CE1' ' A' ' 90' ' ' TYR . 88.3 mt -60.99 -26.11 67.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -88.39 -34.86 17.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -73.8 -64.73 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -94.7 -178.55 4.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.55 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -122.94 159.81 27.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.547 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 19.2 mtmt -42.58 -33.04 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -54.63 -43.32 72.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.824 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 61.4 p -70.49 173.58 6.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.186 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.516 ' O ' ' N ' ' A' ' 90' ' ' TYR . 5.7 mt -83.03 -63.48 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.485 ' N ' HG22 ' A' ' 88' ' ' ILE . 0.7 OUTLIER -38.08 -26.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.907 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.608 ' CE1' ' CD2' ' A' ' 80' ' ' LEU . 3.8 t80 -73.52 -63.47 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -52.02 -41.44 62.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.53 -38.82 88.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.815 ' HB1' HG13 ' A' ' 76' ' ' VAL . . . -68.1 -40.41 82.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.9 t -54.39 -46.23 69.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -62.45 -53.67 51.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 48.7 mt -48.85 -46.61 42.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.571 ' HB2' HG11 ' A' ' 76' ' ' VAL . 46.9 ttt180 -62.45 -38.24 89.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -71.6 -65.44 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -63.9 -53.06 56.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -44.47 -30.48 2.1 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.467 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -49.63 -43.49 37.22 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.465 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.86 -27.27 69.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.343 . . . . 0.0 111.12 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.555 HG11 ' HG ' ' A' ' 19' ' ' LEU . 62.1 t -76.13 -36.9 31.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.503 HD11 ' CD1' ' A' ' 72' ' ' PHE . 68.7 mt -80.41 -29.01 37.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.41 ' HA ' ' NH1' ' A' ' 108' ' ' ARG . 58.9 mtm180 -78.18 -38.22 43.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.829 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.492 ' NE2' ' HB2' ' A' ' 107' ' ' ALA . 4.7 pp0? -72.06 -26.17 62.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.492 ' HB2' ' NE2' ' A' ' 106' ' ' GLN . . . -86.21 -42.16 14.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.41 ' NH1' ' HA ' ' A' ' 105' ' ' ARG . 7.4 ttm105 -47.94 -47.52 32.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.816 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -55.36 -34.25 64.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 112' ' ' GLU . 8.8 mt-30 -65.57 -63.87 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.937 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.468 ' HB2' HD23 ' A' ' 11' ' ' LEU . . . -41.88 -24.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.055 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 110' ' ' GLN . 19.3 mt-10 -86.97 -48.16 8.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 27.6 pttt -56.89 -28.29 61.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 6.9 mmt -46.51 -38.64 9.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -157.12 -155.97 7.7 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.46 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 92.4 p -159.97 128.53 4.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.89 0.376 . . . . 0.0 110.906 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 173.1 146.18 5.35 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.47 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 115.58 4.16 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.735 2.29 . . . . 0.0 112.307 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.2 m -105.44 127.8 53.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 16.5 m -52.45 136.99 30.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.532 -179.939 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.2 p -128.45 -44.55 1.38 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.827 0.346 . . . . 0.0 110.864 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -156.94 146.77 20.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.818 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.02 85.97 1.57 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.547 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.7 m -119.06 92.39 3.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.862 0.363 . . . . 0.0 110.85 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 9' ' ' LEU . 15.9 p -90.24 -55.65 3.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.09 -41.54 1.02 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.445 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.552 ' CZ ' HD11 ' A' ' 12' ' ' LEU . 76.7 t80 -62.25 -41.58 98.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.86 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.604 ' CD1' ' CE2' ' A' ' 60' ' ' TYR . 79.6 mt -57.11 -42.65 81.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.44 HD12 ' H ' ' A' ' 10' ' ' ILE . 4.0 mp -63.16 -35.0 70.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.626 HD23 ' HB2' ' A' ' 111' ' ' ALA . 67.7 tp -62.16 -37.82 86.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.745 ' HB3' HD12 ' A' ' 57' ' ' LEU . 8.7 mp -69.6 -53.93 16.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.721 ' HG2' HD21 ' A' ' 57' ' ' LEU . 61.9 mtt180 -50.93 -40.97 58.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.831 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.422 ' C ' ' HD2' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -72.25 -44.07 63.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.431 HG23 HG12 ' A' ' 103' ' ' VAL . 46.7 m -60.56 -56.67 18.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.517 HD23 ' HD3' ' A' ' 54' ' ' LYS . 58.4 tp -36.86 -45.96 0.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.904 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -57.91 -50.74 72.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.935 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -54.34 -19.8 6.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.431 HD13 ' CD2' ' A' ' 72' ' ' PHE . 45.8 mt -92.77 -35.68 13.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.5 ' HG2' ' CD1' ' A' ' 50' ' ' PHE . 21.7 mt-30 -69.32 -34.54 74.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -60.07 -40.63 90.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.429 ' HB2' HD23 ' A' ' 96' ' ' LEU . 71.0 mmtt -54.03 -32.19 53.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -81.97 81.39 7.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.83 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.4 p -62.36 -32.77 73.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.18 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.07 -22.73 73.34 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.518 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 m120 62.32 38.86 12.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.875 0.369 . . . . 0.0 110.937 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.47 HG21 ' HD1' ' A' ' 89' ' ' PHE . 59.8 mt -74.97 -42.31 45.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.12 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.415 ' HB2' ' CD2' ' A' ' 50' ' ' PHE . 1.5 m-85 -90.54 -7.44 52.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.946 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -56.35 -13.62 2.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -141.6 150.68 58.16 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.632 0.73 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 141.36 45.26 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 112.377 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.4 t -71.68 124.03 90.31 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.678 0.751 . . . . 0.0 111.146 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 126.35 13.21 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.659 2.239 . . . . 0.0 112.39 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 73.1 mt -59.8 -31.78 70.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.6 t -46.77 -37.15 8.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.843 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -90.87 -34.77 15.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.0 t -118.12 86.59 26.75 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.669 0.747 . . . . 0.0 111.07 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -18.14 37.08 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.611 2.207 . . . . 0.0 112.394 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -114.71 30.61 7.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.42 ' CE2' ' HB3' ' A' ' 47' ' ' PRO . 23.5 t80 -58.68 -51.5 69.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.46 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 30.9 mt -73.76 -39.78 63.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.958 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 41' ' ' LEU . 7.4 t0 -35.09 -40.34 0.12 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -102.18 -28.99 11.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.3 mm -99.11 118.6 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.9 mmtm -77.17 -45.51 26.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.954 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.473 ' O ' HD13 ' A' ' 74' ' ' LEU . 36.4 tttt -132.28 89.36 37.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.525 0.678 . . . . 0.0 110.921 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.46 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 54.2 Cg_endo -69.72 153.3 69.27 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.687 2.258 . . . . 0.0 112.372 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 38.7 tpp -151.01 162.14 41.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.821 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -153.2 177.03 11.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.5 ' CD1' ' HG2' ' A' ' 20' ' ' GLN . 5.3 m-85 -73.27 -35.79 66.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -82.62 -40.05 21.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 56.0 m -58.57 -49.76 76.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 17.2 ptm -59.18 -40.26 85.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.517 ' HD3' HD23 ' A' ' 16' ' ' LEU . 40.1 tptt -55.7 -52.63 63.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.873 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -48.22 -52.87 19.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -59.95 -40.69 89.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.745 HD12 ' HB3' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -58.78 -43.59 90.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.984 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.704 ' N ' HD23 ' A' ' 57' ' ' LEU . 60.6 mt-10 -73.13 -11.64 60.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.96 15.23 24.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.604 ' CE2' ' CD1' ' A' ' 9' ' ' LEU . 79.2 m-85 57.09 44.78 21.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.907 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.7 mtt85 -95.22 -32.87 12.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.818 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.449 ' CZ ' ' OD2' ' A' ' 71' ' ' ASP . 25.1 m-85 -99.13 105.19 17.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.971 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.2 mt -103.08 -25.12 13.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -118.55 137.88 52.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -45.88 -54.08 8.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -39.06 -40.11 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -66.75 -62.97 1.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.443 ' CG ' ' HG ' ' A' ' 12' ' ' LEU . 50.2 t80 -49.98 -32.34 14.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -74.29 -46.79 38.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -46.19 -45.17 16.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.449 ' OD2' ' CZ ' ' A' ' 62' ' ' TYR . 3.0 m-20 -58.18 -61.63 2.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.431 ' CD2' HD13 ' A' ' 19' ' ' LEU . 20.1 t80 -44.65 -38.0 4.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -65.87 -48.25 72.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.473 HD13 ' O ' ' A' ' 46' ' ' LYS . 14.7 mt -47.66 -46.7 29.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.417 HD12 ' HA ' ' A' ' 72' ' ' PHE . 50.2 mt -52.81 -43.16 44.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.517 HG11 ' HB2' ' A' ' 97' ' ' ARG . 84.9 t -74.82 -55.69 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.188 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 78' ' ' ASN . 32.7 p -57.06 -67.74 0.29 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.88 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.453 ' C ' ' O ' ' A' ' 77' ' ' SER . 97.5 m-20 -33.97 -42.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.2 t -69.74 -50.27 45.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.955 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.602 ' CD2' ' CE1' ' A' ' 90' ' ' TYR . 19.7 mt -60.93 -23.45 65.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.942 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -86.41 -33.21 20.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -76.18 -62.68 1.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.635 ' HB3' HG21 ' A' ' 87' ' ' THR . 1.5 m-80 -104.67 -176.63 3.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.61 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -119.29 -175.26 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.102 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.487 ' HD3' ' CE1' ' A' ' 90' ' ' TYR . 21.3 mmtp -58.02 -31.15 66.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -52.75 -55.41 22.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.895 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.635 HG21 ' HB3' ' A' ' 83' ' ' ASN . 77.3 p -56.89 171.38 0.35 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.168 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 90' ' ' TYR . 6.2 mt -85.83 -63.71 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.193 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.473 ' N ' HG22 ' A' ' 88' ' ' ILE . 0.9 OUTLIER -38.4 -26.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.915 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.61 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 4.1 t80 -72.31 -53.34 12.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 9.7 mtt-85 -59.07 -39.47 82.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.17 -42.58 93.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.157 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.1 -41.11 97.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.091 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.7 t -55.71 -44.79 78.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -65.85 -52.88 46.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.782 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.429 HD23 ' HB2' ' A' ' 22' ' ' LYS . 24.9 mt -47.04 -42.21 18.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.821 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.517 ' HB2' HG11 ' A' ' 76' ' ' VAL . 49.2 ttt180 -67.5 -39.41 85.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -67.57 -61.61 1.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -69.53 -52.34 27.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.978 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -46.77 -28.21 3.62 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.405 ' CA ' HH11 ' A' ' 105' ' ' ARG . . . -53.74 -48.77 60.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.42 -29.15 65.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.782 0.325 . . . . 0.0 111.069 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.431 HG12 HG23 ' A' ' 15' ' ' THR . 53.9 t -70.32 -41.23 78.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 88.2 mt -73.1 -46.26 52.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.458 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 3.4 mpt_? -59.17 -44.17 92.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -69.32 -21.85 63.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -91.31 -29.0 17.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.072 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 -58.06 -50.79 72.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -54.43 -33.39 59.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -69.75 -49.84 49.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.962 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.626 ' HB2' HD23 ' A' ' 11' ' ' LEU . . . -60.91 -16.87 46.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -98.09 -42.98 7.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 20.3 pttt -60.66 -20.65 61.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.55 ' HE3' ' HA ' ' A' ' 8' ' ' PHE . 6.0 mtt -43.45 -40.82 3.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.917 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -136.32 60.88 0.62 Allowed Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.404 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 96.0 p -93.21 107.34 19.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.975 0.417 . . . . 0.0 110.862 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -143.02 -85.9 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 1.71 4.15 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.679 2.253 . . . . 0.0 112.368 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 18.4 m -51.51 -60.73 2.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.783 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 24.8 p -134.72 162.19 33.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.845 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.471 -179.953 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 m -112.62 -47.05 3.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.895 0.379 . . . . 0.0 110.86 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.1 m -82.54 121.21 26.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.82 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.69 129.62 1.57 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.419 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 t -85.61 75.32 10.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.911 0.386 . . . . 0.0 110.83 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.565 ' O ' HD12 ' A' ' 10' ' ' ILE . 4.5 m -78.51 -51.49 9.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.852 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.514 ' HA2' HD13 ' A' ' 10' ' ' ILE . . . -38.86 -48.42 2.5 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.436 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.625 ' CE2' HD11 ' A' ' 12' ' ' LEU . 77.9 t80 -57.59 -39.05 75.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.884 0.373 . . . . 0.0 110.942 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.731 HD11 ' CE2' ' A' ' 60' ' ' TYR . 17.4 mt -59.63 -49.35 78.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.594 HD12 ' H ' ' A' ' 10' ' ' ILE . 4.5 mp -51.99 -56.41 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.103 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.9 tp -44.16 -52.59 7.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.625 HD11 ' CE2' ' A' ' 8' ' ' PHE . 55.6 mt -54.42 -49.5 69.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 83.1 mtt180 -56.41 -50.11 72.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.82 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.421 ' C ' ' HD2' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -59.69 -42.59 93.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.407 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 98.5 m -63.84 -52.82 58.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.164 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.2 tp -46.05 -38.12 7.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -68.95 -50.66 47.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -47.99 -46.73 33.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.942 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.9 mt -57.14 -49.06 77.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 23' ' ' ASP . 12.3 mt-30 -44.17 -51.96 7.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 20' ' ' GLN . 5.9 mm-40 -37.95 -46.07 0.94 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.571 ' HB2' HD23 ' A' ' 96' ' ' LEU . 27.9 mmtm -54.14 -44.6 71.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 20' ' ' GLN . 35.5 t0 -72.82 91.69 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 78.1 p -79.17 -20.86 47.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.37 -14.37 57.28 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.462 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 58.01 29.06 17.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 0.0 110.832 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.555 HD13 ' HD1' ' A' ' 89' ' ' PHE . 78.4 mt -66.62 -38.26 81.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.413 ' HB2' ' CD2' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -96.05 -8.83 32.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 t -59.97 -12.72 8.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.838 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -137.99 151.84 70.89 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.623 0.725 . . . . 0.0 110.953 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 137.05 34.39 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.685 2.257 . . . . 0.0 112.359 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.6 t -67.58 124.45 89.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.584 0.707 . . . . 0.0 111.187 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 135.08 29.6 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.668 2.246 . . . . 0.0 112.354 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 58.3 mt -73.5 -28.01 61.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.838 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.7 p -48.22 -40.05 23.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -90.85 -24.81 20.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.4 t -124.12 87.24 53.6 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.594 0.711 . . . . 0.0 111.156 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -19.89 35.53 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.672 2.248 . . . . 0.0 112.336 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -115.49 32.49 6.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -58.51 -57.45 12.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.465 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 17.3 mt -67.05 -36.0 81.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.934 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -43.14 -37.6 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.412 ' HB2' ' CD1' ' A' ' 82' ' ' TYR . 35.7 m-70 -99.94 -36.36 9.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.425 ' CD1' ' HD3' ' A' ' 81' ' ' LYS . 10.8 mm -102.83 107.0 21.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -67.0 -43.14 83.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -122.49 87.19 48.97 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.58 0.705 . . . . 0.0 110.912 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.465 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 53.7 Cg_endo -69.78 113.79 3.49 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.625 2.217 . . . . 0.0 112.354 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.418 ' C ' ' CG ' ' A' ' 49' ' ' ASP . 37.6 tpp -111.79 156.5 21.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.418 ' CG ' ' C ' ' A' ' 48' ' ' MET . 0.8 OUTLIER -162.65 163.32 27.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.806 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.413 ' CD2' ' HB2' ' A' ' 28' ' ' PHE . 11.6 m-85 -58.56 -34.67 71.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -81.74 -39.47 24.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 75.3 m -64.68 -50.54 66.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 19.5 ptm -58.74 -36.44 74.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.65 -52.34 66.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.942 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 -50.23 -50.33 50.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -61.14 -41.34 96.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.465 ' C ' HD23 ' A' ' 57' ' ' LEU . 4.0 tt -59.4 -44.12 92.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.858 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -70.54 -23.17 62.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.37 11.86 13.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.083 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.731 ' CE2' HD11 ' A' ' 9' ' ' LEU . 9.0 m-85 58.29 43.59 19.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.5 mtt-85 -92.01 -25.79 18.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.519 ' CZ ' ' OD2' ' A' ' 71' ' ' ASP . 26.3 m-85 -103.16 104.92 15.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.4 mt -102.47 -26.56 13.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -114.77 139.01 50.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -49.21 -45.74 44.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -51.69 -37.38 50.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -68.39 -42.28 79.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.838 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -67.47 -35.52 79.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -69.73 -49.91 48.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -42.14 -55.66 3.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.519 ' OD2' ' CZ ' ' A' ' 62' ' ' TYR . 13.2 m-20 -43.86 -57.95 3.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -48.35 -56.43 8.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -44.38 -56.5 4.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 74' ' ' LEU . 12.8 mt -41.16 -54.75 2.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 87.8 mt -45.81 -54.39 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.542 HG11 ' HB2' ' A' ' 97' ' ' ARG . 46.5 t -61.87 -54.34 35.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.154 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 80' ' ' LEU . 33.7 p -60.52 -70.18 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 74' ' ' LEU . 84.9 m-20 -38.21 -31.21 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.418 ' N ' ' O ' ' A' ' 77' ' ' SER . 30.0 t -80.09 -41.42 25.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.54 HD22 ' CZ ' ' A' ' 90' ' ' TYR . 70.8 mt -74.84 -18.83 60.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.425 ' HD3' ' CD1' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -89.84 -40.69 12.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.86 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.412 ' CD1' ' HB2' ' A' ' 43' ' ' HIS . 21.1 t80 -72.85 -48.52 36.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.94 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -100.57 174.27 6.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -117.45 160.23 21.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.112 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.527 ' HA ' ' CG ' ' A' ' 90' ' ' TYR . 8.4 mtmm -45.42 -38.06 5.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.44 -40.44 36.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 49.2 p -71.11 175.14 5.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.171 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.511 ' O ' ' N ' ' A' ' 90' ' ' TYR . 3.3 mt -88.94 -61.23 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.555 ' HD1' HD13 ' A' ' 27' ' ' ILE . 0.7 OUTLIER -38.24 -26.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.54 ' CZ ' HD22 ' A' ' 80' ' ' LEU . 4.7 t80 -68.45 -51.41 43.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.94 -47.84 73.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.924 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -51.37 -39.83 57.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.424 ' HB1' HG13 ' A' ' 76' ' ' VAL . . . -67.22 -40.69 86.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.3 t -54.32 -49.91 60.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.148 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -58.69 -47.56 84.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.571 HD23 ' HB2' ' A' ' 22' ' ' LYS . 47.7 mt -53.3 -47.65 69.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.958 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.542 ' HB2' HG11 ' A' ' 76' ' ' VAL . 73.4 ttt180 -62.3 -35.98 80.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.787 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -71.08 -66.25 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.46 ' CB ' ' HD2' ' A' ' 22' ' ' LYS . 49.5 mt-30 -63.34 -52.76 60.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -42.72 -38.45 3.14 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.555 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -44.86 -35.93 4.65 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.504 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.92 -35.65 67.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 0.0 111.084 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.3 t -69.39 -34.8 64.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.146 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 79.9 mt -81.26 -20.79 40.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.7 mtp180 -89.04 -35.14 16.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.518 ' OE1' ' HB2' ' A' ' 107' ' ' ALA . 0.0 OUTLIER -72.37 -29.19 63.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.518 ' HB2' ' OE1' ' A' ' 106' ' ' GLN . . . -87.56 -37.36 16.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 33.3 ttp85 -49.69 -51.91 34.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -48.54 -35.83 14.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.404 ' O ' ' N ' ' A' ' 112' ' ' GLU . 10.1 mt-30 -66.03 -58.64 5.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -42.35 -25.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 110' ' ' GLN . 29.7 mt-10 -91.38 -45.22 8.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 114' ' ' MET . 3.0 ptmm? -57.65 -28.4 63.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.803 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.422 ' C ' ' O ' ' A' ' 113' ' ' LYS . 14.1 mmt -36.66 -33.55 0.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 113' ' ' LYS . . . -136.97 -63.31 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.476 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 8.5 t -47.34 -57.69 4.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.866 0.365 . . . . 0.0 110.836 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 73.77 143.38 0.7 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.87 99.24 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.637 2.225 . . . . 0.0 112.285 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.6 m 47.17 39.96 9.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.825 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.4 t -132.04 157.81 43.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.488 -179.971 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m -91.09 103.41 16.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.874 0.368 . . . . 0.0 110.82 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 m -78.57 146.44 34.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.794 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.95 -139.18 6.29 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.495 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 m 54.89 44.94 27.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 110.873 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 9' ' ' LEU . 10.1 p -50.16 -50.3 49.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.32 -49.51 2.91 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.441 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.479 ' CE2' ' O ' ' A' ' 63' ' ' LEU . 43.6 t80 -56.51 -35.87 68.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 110.857 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.65 HD11 ' CE2' ' A' ' 60' ' ' TYR . 28.0 mt -63.73 -54.22 38.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.715 HD12 ' H ' ' A' ' 10' ' ' ILE . 3.9 mp -49.68 -54.21 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 19.8 tp -46.21 -31.82 2.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.634 ' HB3' HD11 ' A' ' 57' ' ' LEU . 83.4 mt -79.7 -49.23 12.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -60.03 -31.98 70.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -83.36 -35.51 25.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.449 HG23 HG12 ' A' ' 103' ' ' VAL . 8.4 m -70.44 -42.57 71.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.152 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.793 ' HA ' HD12 ' A' ' 19' ' ' LEU . 22.2 tp -56.5 -32.71 65.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -73.09 -40.5 64.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -58.92 -33.22 70.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.793 HD12 ' HA ' ' A' ' 16' ' ' LEU . 7.9 mt -66.95 -53.01 35.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.513 ' HG2' ' CD1' ' A' ' 50' ' ' PHE . 28.8 mt-30 -48.83 -43.44 38.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -40.97 -37.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.9 mmtt -67.43 -38.4 84.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 20' ' ' GLN . 23.2 t0 -69.91 83.14 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 67.6 p -75.07 -3.48 32.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.421 ' C ' ' CG ' ' A' ' 26' ' ' ASN . . . -107.46 -5.73 34.03 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.421 ' CG ' ' C ' ' A' ' 25' ' ' GLY . 0.7 OUTLIER 46.21 32.23 1.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.826 0.346 . . . . 0.0 110.889 -179.822 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.419 HG21 ' HD1' ' A' ' 89' ' ' PHE . 79.4 mt -72.26 -41.5 66.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.447 ' O ' ' N ' ' A' ' 30' ' ' GLU . 4.0 m-85 -90.4 -24.75 20.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -41.18 -24.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 28' ' ' PHE . 15.9 mt-10 -127.75 152.28 76.74 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.633 0.73 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 133.46 25.68 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.706 2.271 . . . . 0.0 112.334 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.1 t -58.04 121.46 50.97 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.659 0.742 . . . . 0.0 111.087 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 138.66 38.25 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.644 2.229 . . . . 0.0 112.366 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.9 mt -72.26 -26.48 62.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.9 m -51.37 -45.28 62.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -86.6 -29.61 22.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.6 t -122.02 84.8 45.4 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.599 0.714 . . . . 0.0 111.173 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -18.44 37.19 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.683 2.255 . . . . 0.0 112.328 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -114.24 29.71 7.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.841 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -56.67 -56.36 22.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 43' ' ' HIS . 11.2 mt -70.2 -39.17 75.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -38.63 -27.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 41' ' ' LEU . 54.5 m80 -114.31 -37.17 4.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.552 HD13 ' HE2' ' A' ' 81' ' ' LYS . 34.0 mm -94.08 120.5 43.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.157 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.4 -48.54 16.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -123.84 86.47 53.33 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.567 0.699 . . . . 0.0 110.945 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.451 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 53.7 Cg_endo -69.76 118.19 5.53 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.7 2.267 . . . . 0.0 112.339 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 32.9 tpp -116.6 162.87 16.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -159.46 177.44 10.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.513 ' CD1' ' HG2' ' A' ' 20' ' ' GLN . 11.2 m-85 -66.26 -47.77 72.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -71.61 -41.87 68.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 94.7 m -60.55 -51.06 71.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.112 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.561 ' CE ' ' CE1' ' A' ' 68' ' ' PHE . 2.8 ppp? -58.62 -36.74 74.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.652 ' HD3' HD23 ' A' ' 16' ' ' LEU . 19.0 tptt -60.69 -53.68 54.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.853 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -47.74 -53.66 14.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -58.62 -38.79 78.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.634 HD11 ' HB3' ' A' ' 12' ' ' LEU . 7.2 tt -60.35 -59.39 5.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.509 ' N ' HD23 ' A' ' 57' ' ' LEU . 6.3 pt-20 -59.05 -20.57 54.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.65 6.7 16.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.65 ' CE2' HD11 ' A' ' 9' ' ' LEU . 36.2 m-85 61.75 43.56 9.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.953 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.8 mtt-85 -97.37 -22.93 16.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -106.99 98.8 8.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.479 ' O ' ' CE2' ' A' ' 8' ' ' PHE . 7.4 mt -94.49 -28.97 15.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -113.5 138.15 50.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -47.55 -52.17 18.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -40.3 -36.82 0.57 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -69.95 -63.75 1.02 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.561 ' CE1' ' CE ' ' A' ' 53' ' ' MET . 53.7 t80 -47.9 -34.51 9.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -78.1 -25.0 47.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -66.2 -55.57 15.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 72' ' ' PHE . 0.3 OUTLIER -53.79 -48.59 69.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.482 ' N ' ' OD1' ' A' ' 71' ' ' ASP . 8.9 t80 -53.68 -43.72 69.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -53.72 -52.03 61.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 50.0 mt -45.73 -55.32 6.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 78.8 mt -39.74 -31.58 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.61 HG11 ' HB2' ' A' ' 97' ' ' ARG . 91.2 t -93.23 -46.47 13.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 80' ' ' LEU . 1.0 OUTLIER -62.39 -65.75 0.64 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.869 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -39.59 -47.15 1.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 44.2 t -68.37 -31.89 71.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.55 HD12 HG12 ' A' ' 76' ' ' VAL . 65.8 mt -83.2 -14.03 54.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.552 ' HE2' HD13 ' A' ' 44' ' ' ILE . 10.1 pttt -102.22 -14.16 17.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -90.15 -44.5 9.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.458 ' HB2' HG21 ' A' ' 87' ' ' THR . 12.2 p30 -125.56 -179.39 4.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.597 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -116.08 -178.3 3.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.067 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.38 -37.33 36.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.981 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -44.87 -53.28 7.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.458 HG21 ' HB2' ' A' ' 83' ' ' ASN . 72.8 p -62.79 167.99 4.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.504 HG22 ' N ' ' A' ' 89' ' ' PHE . 3.5 mt -83.43 -61.89 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.504 ' N ' HG22 ' A' ' 88' ' ' ILE . 1.3 m-85 -38.37 -26.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.597 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 2.8 t80 -70.75 -56.8 5.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 29.6 mtt180 -61.07 -42.66 98.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.95 -40.63 98.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.059 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.87 95.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.141 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 90' ' ' TYR . 47.5 t -54.53 -37.51 38.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -65.91 -54.78 22.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.833 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 100' ' ' GLY . 28.0 mt -47.98 -48.2 32.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.61 ' HB2' HG11 ' A' ' 76' ' ' VAL . 39.2 ttt180 -60.51 -41.72 94.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -66.95 -62.72 1.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -67.28 -53.91 25.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -39.56 -44.79 2.51 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.485 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -41.57 -48.26 4.84 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.519 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.93 -36.22 65.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.833 0.349 . . . . 0.0 111.064 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.449 HG12 HG23 ' A' ' 15' ' ' THR . 97.9 t -73.92 -44.12 51.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.462 ' HG ' HD21 ' A' ' 19' ' ' LEU . 88.7 mt -75.97 -18.42 59.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 20.9 mtt-85 -88.32 -31.35 18.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.475 ' HA ' ' NE ' ' A' ' 109' ' ' ARG . 11.1 pt20 -84.6 -22.75 29.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -92.07 -24.86 19.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -58.71 -42.79 89.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.475 ' NE ' ' HA ' ' A' ' 106' ' ' GLN . 13.4 ptp180 -61.17 -33.13 72.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -66.86 -54.08 25.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.64 -15.97 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.071 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -100.5 -44.11 5.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.874 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.3 pttp -57.37 -19.95 26.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 3.3 mtt -51.46 -61.49 2.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -148.94 98.45 0.19 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.508 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 24.0 m -101.78 79.72 1.95 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.943 0.401 . . . . 0.0 110.874 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -92.11 -172.66 41.98 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 110.01 2.46 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.601 2.201 . . . . 0.0 112.324 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.0 m -98.34 161.16 13.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 29.1 t -95.69 -48.78 5.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.486 180.0 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.392 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.4 p -64.78 126.52 28.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.911 0.386 . . . . 0.0 110.838 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 m -70.01 -54.99 10.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.815 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.58 -54.52 0.73 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -88.73 43.9 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.943 0.401 . . . . 0.0 110.876 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.559 ' O ' HD12 ' A' ' 10' ' ' ILE . 2.6 m -63.81 -45.3 90.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -40.12 -53.95 3.2 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.494 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.616 ' CZ ' HD11 ' A' ' 12' ' ' LEU . 21.5 t80 -50.91 -42.61 59.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.947 0.403 . . . . 0.0 110.905 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.916 HD11 ' CE2' ' A' ' 60' ' ' TYR . 15.2 mt -55.15 -52.04 64.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.675 HD12 ' H ' ' A' ' 10' ' ' ILE . 4.9 mp -56.09 -53.55 37.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 19.9 tp -45.99 -30.76 1.93 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.616 HD11 ' CZ ' ' A' ' 8' ' ' PHE . 30.6 mt -81.35 -49.45 10.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.471 ' CG ' HD21 ' A' ' 57' ' ' LEU . 67.5 mtp180 -58.2 -35.57 71.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.9 -36.31 56.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.8 m -71.66 -38.41 70.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.745 HD23 ' HD3' ' A' ' 54' ' ' LYS . 25.8 tp -57.05 -35.67 69.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.974 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -74.04 -42.75 59.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -51.09 -42.81 60.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.926 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.432 HD21 ' HG ' ' A' ' 104' ' ' LEU . 9.3 mt -60.21 -46.43 89.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.928 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' A' ' 23' ' ' ASP . 28.6 mt-30 -47.82 -43.57 28.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -42.82 -42.69 3.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.1 mmtt -60.33 -35.9 76.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 20' ' ' GLN . 13.7 t70 -85.17 91.38 8.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 79.4 p -74.13 -31.6 62.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.101 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.46 -14.48 82.11 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.491 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 54.11 38.85 29.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.581 HG21 ' CD1' ' A' ' 89' ' ' PHE . 72.9 mt -70.81 -41.21 77.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -92.72 -6.69 48.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -56.57 -13.18 2.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -141.58 152.34 62.99 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.638 0.733 . . . . 0.0 110.87 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 150.46 68.2 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.72 2.28 . . . . 0.0 112.311 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 65.9 t -79.35 124.89 83.98 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.659 0.742 . . . . 0.0 111.091 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 140.22 42.3 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.632 2.222 . . . . 0.0 112.393 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.4 mt -78.54 -29.12 46.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 92.8 p -51.79 -35.72 44.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -92.46 -29.09 16.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.836 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.3 t -122.58 86.83 49.21 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.599 0.714 . . . . 0.0 111.135 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -18.93 36.9 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.65 2.233 . . . . 0.0 112.342 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -115.44 31.96 6.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -59.56 -57.95 10.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.977 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.462 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 13.2 mt -68.66 -32.39 72.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 41' ' ' LEU . 12.2 t0 -37.23 -34.83 0.09 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.802 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -111.31 -32.8 6.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 11.4 mm -90.92 127.41 43.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.44 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 3.7 mptt -86.41 -41.74 14.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.454 ' HE2' ' CD1' ' A' ' 74' ' ' LEU . 44.4 tttt -132.94 87.96 38.63 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.62 0.724 . . . . 0.0 110.911 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.462 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 54.5 Cg_endo -69.73 107.08 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.726 2.284 . . . . 0.0 112.362 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 42.1 tpp -108.53 156.57 19.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -153.68 168.67 25.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -59.56 -36.28 75.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -81.89 -50.62 8.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.1 m -50.79 -54.85 20.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.099 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 27.5 ptm -53.53 -41.88 66.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.807 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.745 ' HD3' HD23 ' A' ' 16' ' ' LEU . 21.3 tptm -58.2 -48.94 78.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.401 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 11.7 mm100 -49.49 -45.43 46.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -67.08 -33.29 75.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.836 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.521 HD11 ' CB ' ' A' ' 12' ' ' LEU . 6.5 tt -64.36 -52.25 59.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 55' ' ' GLN . 5.1 pt-20 -64.16 -21.33 66.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.422 ' CB ' ' NH1' ' A' ' 61' ' ' ARG . . . -85.63 10.04 14.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.916 ' CE2' HD11 ' A' ' 9' ' ' LEU . 57.1 m-85 59.29 45.41 14.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.422 ' NH1' ' CB ' ' A' ' 59' ' ' ALA . 29.1 mtt85 -96.6 -28.21 14.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -103.05 99.39 9.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.458 ' O ' ' CE2' ' A' ' 8' ' ' PHE . 8.3 mt -95.24 -26.65 15.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.943 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -120.69 137.08 54.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 67' ' ' ASP . 8.5 t80 -44.36 -56.5 4.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 65' ' ' PHE . 3.4 m-20 -34.86 -33.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.871 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 65' ' ' PHE . 10.2 t0 -77.44 -56.68 4.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -53.88 -20.44 5.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -90.9 -30.9 16.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -60.14 -50.39 73.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.471 ' CG ' ' N ' ' A' ' 72' ' ' PHE . 0.3 OUTLIER -56.35 -51.35 68.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.471 ' N ' ' CG ' ' A' ' 71' ' ' ASP . 3.1 t80 -50.95 -47.37 61.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -50.09 -48.31 53.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.454 ' CD1' ' HE2' ' A' ' 46' ' ' LYS . 80.6 mt -55.17 -55.37 32.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.444 HD12 ' HA ' ' A' ' 72' ' ' PHE . 88.7 mt -37.47 -30.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.07 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.595 HG11 ' HB2' ' A' ' 97' ' ' ARG . 98.6 t -94.72 -39.68 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 78' ' ' ASN . 1.4 t -63.28 -67.74 0.4 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.43 ' CG ' ' O ' ' A' ' 74' ' ' LEU . 0.8 OUTLIER -36.67 -44.18 0.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.929 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 11.2 t -66.11 -48.09 72.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.949 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.481 HD21 HG23 ' A' ' 94' ' ' VAL . 82.5 mt -61.4 -23.07 65.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.1 ttmt -85.68 -52.43 5.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.947 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -71.11 -61.57 1.72 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -68.28 -175.83 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.599 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -139.26 160.84 38.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.489 ' HG3' ' CZ ' ' A' ' 90' ' ' TYR . 14.1 mtmm -57.52 -17.72 15.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -76.76 -28.52 55.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.964 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 13.8 p -85.53 175.05 9.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.586 HG22 ' N ' ' A' ' 89' ' ' PHE . 1.7 mt -84.51 -61.96 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.172 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.586 ' N ' HG22 ' A' ' 88' ' ' ILE . 1.5 m-85 -39.25 -25.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.599 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 3.7 t80 -74.63 -57.13 4.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -62.9 -34.33 77.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.8 -37.52 86.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.461 ' HB1' HG13 ' A' ' 76' ' ' VAL . . . -68.48 -38.19 80.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.105 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.481 HG23 HD21 ' A' ' 80' ' ' LEU . 5.0 t -57.77 -43.61 84.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -61.78 -55.49 29.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.817 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 100' ' ' GLY . 76.1 mt -47.38 -47.07 26.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.595 ' HB2' HG11 ' A' ' 76' ' ' VAL . 47.7 ttt85 -59.76 -41.34 90.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -74.4 -66.34 0.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -61.59 -53.93 49.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -46.85 -30.04 4.71 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.5 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -52.19 -36.28 44.21 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.41 -35.45 80.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.787 0.327 . . . . 0.0 111.075 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.2 t -68.49 -45.61 81.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.432 ' HG ' HD21 ' A' ' 19' ' ' LEU . 26.5 mt -70.77 -27.35 63.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 29.8 mtt85 -76.21 -43.11 43.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.818 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -69.21 -28.87 66.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -85.11 -28.45 25.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 40.6 ttt-85 -54.36 -55.64 26.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.48 -32.67 28.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -68.83 -57.81 5.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -51.97 -19.13 1.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -95.73 -45.7 6.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 28.6 pttt -54.93 -18.98 5.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 10.1 mmt -49.57 -49.93 44.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.852 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -179.08 -178.13 48.06 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.483 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.3 t -93.48 89.5 6.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.969 0.414 . . . . 0.0 110.895 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -85.88 -95.12 0.8 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.457 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.65 144.35 54.35 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 8.8 t -98.04 129.95 44.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 23.5 t -71.74 116.47 12.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.525 179.938 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.2 p -63.14 138.13 58.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 0.0 110.884 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.2 p -99.01 167.81 10.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.86 106.29 2.98 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.496 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -118.75 81.64 1.73 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.884 0.373 . . . . 0.0 110.87 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 9' ' ' LEU . 5.1 p -87.39 -53.69 4.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.42 -43.51 1.53 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.452 ' CE2' ' O ' ' A' ' 63' ' ' LEU . 38.4 t80 -58.09 -40.93 82.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.896 0.379 . . . . 0.0 110.906 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.466 HD11 ' CE2' ' A' ' 60' ' ' TYR . 47.0 mt -61.03 -35.51 77.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mp -67.99 -47.82 77.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.741 ' CD2' ' HB2' ' A' ' 111' ' ' ALA . 19.7 tp -50.99 -42.24 60.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.487 HD22 ' CG ' ' A' ' 68' ' ' PHE . 45.7 mt -66.17 -54.5 24.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -50.19 -37.05 33.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.433 ' HD3' ' NE2' ' A' ' 18' ' ' GLN . 0.5 OUTLIER -75.78 -36.85 59.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 179.895 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 16' ' ' LEU . 93.1 m -68.31 -59.11 3.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.475 ' CD2' ' HG2' ' A' ' 54' ' ' LYS . 25.1 tp -37.37 -36.51 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.918 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -67.07 -56.13 11.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.843 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.433 ' NE2' ' HD3' ' A' ' 14' ' ' LYS . 73.6 mt-30 -44.63 -43.77 8.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.679 HD22 ' CE2' ' A' ' 72' ' ' PHE . 10.9 mt -63.44 -44.81 93.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -52.15 -41.79 62.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -44.26 -45.11 8.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.447 ' HB2' ' CD2' ' A' ' 96' ' ' LEU . 48.9 mmtt -55.28 -34.73 64.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -76.98 119.1 20.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.5 p -116.9 -29.6 5.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.079 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.25 0.33 88.97 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 51.72 37.51 20.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.795 0.331 . . . . 0.0 110.863 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 81.3 mt -81.26 -42.91 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.579 ' CD2' HD11 ' A' ' 96' ' ' LEU . 1.4 m-85 -96.48 -14.22 22.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -58.11 -13.9 5.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -141.27 152.07 63.24 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.606 0.717 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 157.3 61.0 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.696 2.264 . . . . 0.0 112.361 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.6 t -83.62 125.06 74.56 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.697 0.76 . . . . 0.0 111.162 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 128.13 15.57 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.684 2.256 . . . . 0.0 112.363 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.1 mt -69.11 -37.36 78.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.957 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 79.2 p -48.55 -36.21 14.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -90.6 -29.9 17.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.958 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.5 t -126.67 85.34 60.78 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.718 0.77 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -18.92 36.53 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.669 2.246 . . . . 0.0 112.362 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.465 ' OD2' ' CD2' ' A' ' 43' ' ' HIS . 8.1 t70 -104.86 21.03 17.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -58.0 -64.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.443 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 17.8 mt -60.91 -40.33 92.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.443 ' CG ' ' OD1' ' A' ' 39' ' ' ASP . 0.6 OUTLIER -39.72 -33.14 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.85 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.465 ' CD2' ' OD2' ' A' ' 39' ' ' ASP . 61.7 m-70 -107.17 -36.51 6.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.57 HG23 ' OD1' ' A' ' 78' ' ' ASN . 29.3 mm -98.07 108.92 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -68.17 -46.96 69.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.795 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 42.9 tttp -123.37 87.03 51.89 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.558 0.694 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.443 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 54.0 Cg_endo -69.72 108.3 2.04 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.743 2.296 . . . . 0.0 112.283 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 32.8 tpp -112.38 154.23 26.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -152.1 176.58 11.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.457 ' CD2' ' HB2' ' A' ' 28' ' ' PHE . 6.9 m-85 -67.32 -39.19 85.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -81.9 -33.45 30.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 22.9 m -68.03 -51.96 40.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.406 ' SD ' HD13 ' A' ' 16' ' ' LEU . 2.5 ppp? -60.96 -30.55 70.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.85 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.475 ' HG2' ' CD2' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -63.77 -50.19 70.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.1 mm-40 -49.96 -48.5 52.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.963 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -61.51 -44.37 97.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.474 ' C ' HD23 ' A' ' 57' ' ' LEU . 4.5 tt -56.89 -44.44 82.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -67.36 -22.46 65.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.45 24.0 4.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.06 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.466 ' CE2' HD11 ' A' ' 9' ' ' LEU . 3.2 m-85 48.32 41.4 16.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.934 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 30.9 mtt-85 -86.4 -24.29 25.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.4 ' CE1' ' OD2' ' A' ' 71' ' ' ASP . 23.5 m-85 -108.2 113.35 26.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.452 ' O ' ' CE2' ' A' ' 8' ' ' PHE . 5.3 mt -110.82 -22.68 11.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -117.45 131.44 56.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -44.63 -45.16 9.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -49.15 -38.73 26.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -71.82 -57.76 4.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.83 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.487 ' CG ' HD22 ' A' ' 12' ' ' LEU . 37.7 t80 -49.83 -37.67 31.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.465 ' OE2' HD13 ' A' ' 104' ' ' LEU . 13.1 tt0 -72.51 -50.14 27.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -42.04 -50.94 4.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.834 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.4 ' OD2' ' CE1' ' A' ' 62' ' ' TYR . 7.4 m-20 -50.68 -54.53 22.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.815 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.679 ' CE2' HD22 ' A' ' 19' ' ' LEU . 3.5 t80 -51.38 -55.72 17.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -44.68 -57.33 3.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.4 mt -41.98 -55.47 3.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 95.3 mt -41.15 -38.19 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.098 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.642 HG11 ' HB2' ' A' ' 97' ' ' ARG . 50.7 t -81.0 -49.04 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.416 ' OG ' ' N ' ' A' ' 78' ' ' ASN . 51.8 p -59.67 -64.53 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.57 ' OD1' HG23 ' A' ' 44' ' ' ILE . 62.9 m-20 -38.63 -42.64 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.847 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 11.6 t -66.21 -47.57 73.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.815 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.573 ' HA ' ' CD2' ' A' ' 90' ' ' TYR . 8.1 mt -65.58 -22.9 66.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -80.23 -33.77 37.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -79.93 -66.22 0.9 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -97.02 -178.49 4.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.464 ' HA ' ' CD2' ' A' ' 90' ' ' TYR . . . -128.61 171.49 12.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.031 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.585 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -52.19 -17.79 1.24 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.91 -5.45 21.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 57.8 p -119.42 -177.34 3.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.51 ' O ' ' N ' ' A' ' 90' ' ' TYR . 7.0 mt -88.68 -64.83 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.49 ' N ' HG22 ' A' ' 88' ' ' ILE . 0.9 OUTLIER -38.06 -26.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.585 ' CD1' ' HA ' ' A' ' 85' ' ' LYS . 19.5 t80 -81.57 -49.2 10.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.855 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 88' ' ' ILE . 57.0 mtp180 -64.84 -35.02 79.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.76 -34.4 77.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.587 ' HB1' HG13 ' A' ' 76' ' ' VAL . . . -71.96 -37.24 69.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.055 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 24.5 t -56.82 -36.74 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 37.0 ttt180 -70.67 -43.26 69.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.579 HD11 ' CD2' ' A' ' 28' ' ' PHE . 96.3 mt -57.21 -53.99 51.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.642 ' HB2' HG11 ' A' ' 76' ' ' VAL . 59.3 ttt180 -57.83 -42.21 83.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -65.5 -65.55 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.431 ' O ' ' C ' ' A' ' 100' ' ' GLY . 42.4 mt-30 -63.68 -57.73 9.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 103' ' ' VAL . . . -34.95 -46.11 0.61 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 100' ' ' GLY . . . -36.79 -45.64 1.07 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.539 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.08 -39.45 86.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.79 0.329 . . . . 0.0 111.059 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 100' ' ' GLY . 94.6 t -69.17 -46.25 78.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.465 HD13 ' OE2' ' A' ' 69' ' ' GLU . 79.3 mt -70.03 -25.19 63.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 34.5 mtt85 -82.16 -36.37 27.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.842 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -77.32 -13.92 59.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -96.99 -34.49 11.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.048 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -54.6 -41.81 70.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.833 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -64.63 -32.36 73.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -69.35 -51.88 32.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.741 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . . . -56.63 -19.42 16.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -95.49 -47.23 6.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.1 ptmm? -55.12 -21.31 12.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 8.7 mtt -47.05 -56.3 6.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.926 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -93.61 132.23 11.12 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.514 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 99.2 p -47.86 -42.07 25.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.937 0.398 . . . . 0.0 110.875 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 85.96 154.44 23.95 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.53 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.74 92.13 0.51 Allowed 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 122.698 2.266 . . . . 0.0 112.308 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.3 t 63.21 36.28 12.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.0 m 52.86 31.79 11.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.464 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.7 m -54.33 119.83 5.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.921 0.391 . . . . 0.0 110.835 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m 56.1 43.56 26.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.836 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.31 139.75 43.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.512 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -121.45 42.21 3.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.348 . . . . 0.0 110.88 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 m -52.19 -45.28 65.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.784 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.0 -54.9 2.39 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.422 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.805 ' CZ ' HD11 ' A' ' 12' ' ' LEU . 39.5 t80 -49.33 -38.85 29.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.936 0.398 . . . . 0.0 110.894 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.543 ' CD1' ' CE2' ' A' ' 60' ' ' TYR . 22.7 mt -60.23 -47.5 85.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.937 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.491 HD12 ' H ' ' A' ' 10' ' ' ILE . 4.3 mp -61.26 -43.23 96.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.4 tp -54.8 -42.32 71.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.959 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.805 HD11 ' CZ ' ' A' ' 8' ' ' PHE . 75.5 mt -65.04 -56.56 12.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.721 ' CG ' HD21 ' A' ' 57' ' ' LEU . 43.2 mtt180 -47.76 -41.47 23.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.847 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -72.65 -49.43 31.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.955 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.551 HG23 HG12 ' A' ' 103' ' ' VAL . 16.7 m -53.3 -50.61 64.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.521 ' HA ' HD12 ' A' ' 19' ' ' LEU . 9.5 tp -47.71 -43.04 26.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -58.66 -45.89 88.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -53.67 -33.24 54.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 16' ' ' LEU . 38.6 mt -66.67 -46.35 75.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 23' ' ' ASP . 28.8 mt-30 -51.56 -51.49 55.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.965 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' GLN . 19.2 mm-40 -37.56 -47.64 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.426 ' HB2' ' CD2' ' A' ' 96' ' ' LEU . 68.6 mmtt -54.45 -41.81 69.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 20' ' ' GLN . 19.2 t0 -78.75 83.17 4.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.0 p -66.11 -33.78 76.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.196 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.18 -16.29 80.76 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.514 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.7 m120 57.25 38.31 28.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.807 0.337 . . . . 0.0 110.893 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.543 HG21 ' CD1' ' A' ' 89' ' ' PHE . 74.8 mt -71.39 -38.38 68.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.086 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.4 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 4.1 m-85 -92.9 -12.78 30.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -51.92 -17.06 0.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.798 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -138.06 152.05 71.16 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.602 0.715 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 134.69 28.41 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.679 2.253 . . . . 0.0 112.296 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.7 t -57.99 126.17 76.27 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.543 0.687 . . . . 0.0 111.151 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 141.85 46.29 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.615 2.21 . . . . 0.0 112.36 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 73.1 mt -80.76 -26.79 37.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.3 t -47.16 -45.65 22.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.434 ' OE1' HG22 ' A' ' 37' ' ' VAL . 15.2 tm-20 -90.58 -26.61 19.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.894 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.434 HG22 ' OE1' ' A' ' 36' ' ' GLU . 1.8 t -118.24 84.15 21.87 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.57 0.7 . . . . 0.0 111.101 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -19.58 35.92 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.673 2.249 . . . . 0.0 112.374 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -111.89 27.11 9.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -54.48 -58.58 6.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.47 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 27.0 mt -66.15 -41.66 90.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.969 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -38.66 -38.84 0.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 57.2 m-70 -102.34 -31.13 10.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.4 mm -102.1 104.65 16.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -66.45 -43.6 85.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.597 ' HD3' HD11 ' A' ' 74' ' ' LEU . 28.8 tttp -126.81 86.94 57.64 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.519 0.676 . . . . 0.0 110.882 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.47 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 53.8 Cg_endo -69.75 103.98 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.321 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 43.4 tpp -107.97 150.33 27.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.459 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -145.72 -176.11 5.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.901 179.9 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.4 ' CE2' ' HB2' ' A' ' 28' ' ' PHE . 5.3 m-85 -74.24 -32.26 62.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -85.58 -39.68 17.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.6 m -60.84 -47.75 84.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.094 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.481 ' CE ' HD13 ' A' ' 16' ' ' LEU . 21.8 ptm -58.53 -43.23 89.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.915 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.461 ' HD3' ' CD2' ' A' ' 16' ' ' LEU . 28.7 tptt -54.87 -53.04 60.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.915 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -46.88 -48.1 21.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -67.26 -38.66 85.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.721 HD21 ' CG ' ' A' ' 13' ' ' ARG . 1.6 tt -61.67 -45.66 93.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.926 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.501 ' N ' HD23 ' A' ' 57' ' ' LEU . 48.7 mt-10 -66.92 -24.08 66.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.413 ' HB3' ' HG3' ' A' ' 61' ' ' ARG . . . -84.25 12.96 5.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.091 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.543 ' CE2' ' CD1' ' A' ' 9' ' ' LEU . 9.6 m-85 57.39 42.0 25.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.413 ' HG3' ' HB3' ' A' ' 59' ' ' ALA . 43.7 mtt180 -91.71 -26.17 18.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -101.97 104.54 15.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.984 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.6 mt -102.22 -26.89 13.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -117.07 137.37 52.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -45.78 -40.09 9.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.815 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -51.37 -36.63 44.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -71.14 -52.22 20.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.523 ' CG ' HD22 ' A' ' 12' ' ' LEU . 51.8 t80 -59.14 -31.49 69.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.74 ' OE2' HD13 ' A' ' 104' ' ' LEU . 9.3 tp10 -72.81 -51.45 18.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -43.3 -57.11 3.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.73 -62.15 1.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.797 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.511 ' HA ' HD12 ' A' ' 75' ' ' ILE . 6.2 t80 -45.5 -49.67 13.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -50.56 -53.07 33.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.597 HD11 ' HD3' ' A' ' 46' ' ' LYS . 21.9 mt -47.74 -49.87 27.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.511 HD12 ' HA ' ' A' ' 72' ' ' PHE . 95.0 mt -43.05 -39.82 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.073 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.633 HG13 ' HB1' ' A' ' 93' ' ' ALA . 94.6 t -84.43 -51.56 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 78' ' ' ASN . 19.8 m -51.91 -70.41 0.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.772 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 77' ' ' SER . 83.8 m-20 -34.68 -41.18 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 3.5 t -71.41 -48.74 47.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.543 ' CD1' HG12 ' A' ' 76' ' ' VAL . 50.2 mt -66.78 -10.72 50.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -99.32 -32.48 11.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.945 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -76.03 -64.55 1.07 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.669 ' HB3' HG21 ' A' ' 87' ' ' THR . 2.1 m-80 -99.86 -176.21 3.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.901 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.643 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -122.4 -179.44 4.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.095 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.471 ' HG3' ' CE1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -49.25 -37.01 21.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -47.58 -61.97 1.67 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.669 HG21 ' HB3' ' A' ' 83' ' ' ASN . 74.3 p -52.28 173.22 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.1 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 90' ' ' TYR . 5.9 mt -88.53 -63.0 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.543 ' CD1' HG21 ' A' ' 27' ' ' ILE . 0.7 OUTLIER -37.92 -26.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.939 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.643 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 4.9 t80 -69.14 -59.5 2.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 30.5 mtt-85 -59.32 -37.79 78.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.824 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.67 -44.93 95.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.633 ' HB1' HG13 ' A' ' 76' ' ' VAL . . . -64.46 -40.27 95.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 13.5 t -50.45 -49.52 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.433 ' NE ' ' NE2' ' A' ' 99' ' ' GLN . 14.0 ttm180 -61.63 -55.11 34.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.426 ' CD2' ' HB2' ' A' ' 22' ' ' LYS . 30.0 mt -46.05 -48.46 16.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.436 ' HB2' HG11 ' A' ' 76' ' ' VAL . 38.7 ttt85 -59.3 -39.62 83.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.79 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -73.36 -65.23 0.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.433 ' NE2' ' NE ' ' A' ' 95' ' ' ARG . 61.4 mt-30 -63.11 -57.71 9.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -41.81 -37.67 2.12 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.51 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -46.29 -41.94 12.37 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.514 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.52 -31.19 67.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 0.0 111.156 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.551 HG12 HG23 ' A' ' 15' ' ' THR . 98.9 t -72.58 -41.86 63.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.74 HD13 ' OE2' ' A' ' 69' ' ' GLU . 32.4 mt -75.49 -17.77 60.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -86.96 -39.59 15.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -75.95 -22.07 56.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -89.44 -30.66 18.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.074 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -57.17 -44.34 83.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.833 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -54.45 -32.91 58.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' A' ' 112' ' ' GLU . 7.7 mt-30 -70.97 -65.21 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.945 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -39.99 -24.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.061 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 110' ' ' GLN . 12.9 mt-10 -86.04 -41.56 14.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 110' ' ' GLN . 0.0 OUTLIER -71.1 -32.17 68.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.944 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 8.0 mmt -39.47 -50.09 2.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.823 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -171.01 146.03 9.35 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.532 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 91.0 p -144.37 113.33 6.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.917 0.389 . . . . 0.0 110.86 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -144.6 168.36 26.82 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 98.43 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.672 2.248 . . . . 0.0 112.317 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 97.3 p -92.2 129.87 38.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.795 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.4 t -83.52 113.7 20.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.509 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -61.82 82.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.854 0.359 . . . . 0.0 110.833 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.9 p -67.64 107.95 2.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.63 -114.26 0.41 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.485 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 m -105.74 95.62 5.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.351 . . . . 0.0 110.946 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 9' ' ' LEU . 1.7 p -72.38 -57.76 3.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -35.83 -45.1 0.77 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.527 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.615 ' CE2' HD11 ' A' ' 12' ' ' LEU . 72.4 t80 -56.54 -42.69 78.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.914 0.387 . . . . 0.0 110.877 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.766 HD11 ' CE2' ' A' ' 60' ' ' TYR . 82.7 mt -53.45 -55.61 23.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.518 HD12 ' H ' ' A' ' 10' ' ' ILE . 3.8 mp -47.85 -47.52 12.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.534 ' CD2' ' HB2' ' A' ' 111' ' ' ALA . 66.9 tp -49.57 -39.58 35.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.615 HD11 ' CE2' ' A' ' 8' ' ' PHE . 24.4 mt -75.94 -39.75 55.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.647 ' HG2' HD21 ' A' ' 57' ' ' LEU . 22.1 mtm180 -66.25 -31.27 71.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -88.47 -31.59 18.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.401 ' N ' ' HG3' ' A' ' 14' ' ' LYS . 16.8 m -72.67 -42.34 64.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.178 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.453 ' HA ' HD12 ' A' ' 19' ' ' LEU . 37.7 tp -55.32 -39.44 69.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.945 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -65.87 -44.17 86.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -53.84 -41.44 67.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 16' ' ' LEU . 24.9 mt -59.37 -49.08 79.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 23' ' ' ASP . 11.2 mt-30 -46.51 -49.04 19.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -37.96 -44.62 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.55 ' HB2' HD23 ' A' ' 96' ' ' LEU . 25.0 mmtm -59.59 -41.38 90.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 20' ' ' GLN . 33.5 t0 -77.68 98.2 5.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.7 p -85.11 -32.45 22.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.93 -13.24 81.59 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.546 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.4 m120 56.09 42.57 28.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.839 0.352 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.9 mt -75.83 -36.03 31.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -98.33 -10.87 23.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -52.85 -19.57 2.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -130.37 152.53 80.4 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.565 0.697 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -179.11 2.67 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.684 2.256 . . . . 0.0 112.323 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.3 t -116.48 123.56 30.47 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.627 0.727 . . . . 0.0 111.139 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 112.01 2.96 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.647 2.231 . . . . 0.0 112.389 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.7 mt -59.18 -32.71 70.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.96 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.1 m -55.1 -30.95 60.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -93.42 -34.6 13.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.408 ' CG1' ' OH ' ' A' ' 82' ' ' TYR . 1.2 t -120.38 84.83 35.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.56 0.695 . . . . 0.0 111.127 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -34.32 14.82 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.617 2.211 . . . . 0.0 112.309 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -79.0 3.87 16.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -51.5 -64.04 0.94 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 42' ' ' ASP . 24.6 mt -67.12 -40.52 86.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 41' ' ' LEU . 4.7 t70 -37.95 -32.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -111.68 -33.97 6.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.449 HD12 ' HA ' ' A' ' 78' ' ' ASN . 6.8 mm -86.62 124.08 40.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -79.76 -51.19 9.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.007 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.704 ' O ' HD22 ' A' ' 74' ' ' LEU . 11.1 tptm -130.91 91.36 36.95 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.569 0.7 . . . . 0.0 110.903 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 160.74 48.57 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.701 2.268 . . . . 0.0 112.342 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.489 ' HB2' HD12 ' A' ' 74' ' ' LEU . 35.6 tpp -168.85 165.62 11.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.893 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -158.29 169.71 23.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -62.07 -36.48 81.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.45 ' CD2' ' N ' ' A' ' 52' ' ' THR . 2.7 t80 -75.92 -60.51 2.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.828 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.45 ' N ' ' CD2' ' A' ' 51' ' ' PHE . 12.3 m -44.41 -56.64 4.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.466 ' HG3' ' N ' ' A' ' 54' ' ' LYS . 14.1 ptm -50.58 -45.77 57.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.466 ' N ' ' HG3' ' A' ' 53' ' ' MET . 0.2 OUTLIER -51.96 -49.77 62.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -52.8 -49.78 64.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -60.75 -39.58 89.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.647 HD21 ' HG2' ' A' ' 13' ' ' ARG . 5.9 tt -61.62 -45.11 95.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -66.34 -23.37 66.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.405 ' HB3' ' HG3' ' A' ' 61' ' ' ARG . . . -87.86 13.33 10.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.179 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.766 ' CE2' HD11 ' A' ' 9' ' ' LEU . 6.0 m-85 57.31 42.69 24.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.405 ' HG3' ' HB3' ' A' ' 59' ' ' ALA . 59.0 mtt180 -90.8 -25.92 19.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -102.58 109.8 21.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.98 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.6 mt -109.17 -24.16 11.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -120.52 133.8 55.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.438 ' O ' ' C ' ' A' ' 66' ' ' ASP . 7.4 t80 -42.12 -55.71 3.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 65' ' ' PHE . 0.9 OUTLIER -35.46 -47.51 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.858 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.48 -56.4 14.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.507 ' CG ' HD22 ' A' ' 12' ' ' LEU . 67.2 t80 -52.31 -24.44 7.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -88.39 -42.14 12.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -51.23 -46.4 62.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -59.73 -47.85 84.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -60.97 -39.16 88.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -50.9 -50.79 56.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.704 HD22 ' O ' ' A' ' 46' ' ' LYS . 22.0 mt -44.17 -60.88 1.69 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.437 ' C ' ' O ' ' A' ' 74' ' ' LEU . 44.6 mt -33.43 -37.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.699 HG11 ' HB2' ' A' ' 97' ' ' ARG . 47.3 t -89.1 -38.79 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 74' ' ' LEU . 25.9 t -66.94 -73.84 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.474 ' ND2' ' HB3' ' A' ' 74' ' ' LEU . 5.1 p30 -40.17 -41.93 1.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.4 t -68.32 -47.56 67.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.544 HD12 HG12 ' A' ' 76' ' ' VAL . 29.0 mt -62.31 -22.71 66.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -89.87 -61.9 1.59 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.408 ' OH ' ' CG1' ' A' ' 37' ' ' VAL . 2.6 t80 -43.13 -58.52 2.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.847 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.429 ' HB3' HG21 ' A' ' 87' ' ' THR . 5.9 m-80 -107.28 176.0 5.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.586 ' HA ' ' CD2' ' A' ' 90' ' ' TYR . . . -123.07 166.4 15.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.078 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.566 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -38.65 -39.78 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -46.74 -48.03 20.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.429 HG21 ' HB3' ' A' ' 83' ' ' ASN . 51.2 p -70.76 171.02 11.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.507 ' O ' ' N ' ' A' ' 90' ' ' TYR . 1.7 mt -82.67 -60.93 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.155 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.479 ' N ' HG22 ' A' ' 88' ' ' ILE . 0.6 OUTLIER -38.75 -25.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.911 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.586 ' CD2' ' HA ' ' A' ' 84' ' ' ALA . 6.7 t80 -71.14 -58.58 3.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -52.97 -48.3 67.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.21 -40.07 67.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.74 -40.66 92.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 83.1 t -58.92 -41.89 84.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.118 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 18.0 ttp180 -62.93 -58.38 7.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.817 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.55 HD23 ' HB2' ' A' ' 22' ' ' LYS . 39.1 mt -47.0 -50.61 18.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.968 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.699 ' HB2' HG11 ' A' ' 76' ' ' VAL . 21.9 ttt-85 -55.04 -36.08 65.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -78.47 -64.61 1.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -63.48 -54.75 31.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -41.87 -35.83 1.65 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.474 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -47.78 -44.13 23.63 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.462 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.03 -34.5 74.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 0.0 111.081 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.8 t -69.31 -46.1 77.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 54.7 mt -74.69 -17.58 60.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -85.5 -40.27 16.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -73.0 -28.29 62.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -86.6 -31.71 21.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -56.32 -48.79 76.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -54.59 -33.54 60.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -65.04 -63.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.849 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.534 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . . . -43.74 -23.05 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.072 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -91.32 -44.82 8.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -20.29 62.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.512 ' HE3' ' HA ' ' A' ' 8' ' ' PHE . 17.0 mtt -47.97 -51.7 22.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.857 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -133.05 134.15 7.39 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.6 m -116.69 -53.43 2.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.908 0.385 . . . . 0.0 110.804 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 178.74 -85.26 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.511 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 100.04 0.79 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.67 2.247 . . . . 0.0 112.323 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.4 m -39.78 159.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.874 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 20.7 t -144.15 143.39 31.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.818 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.239 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.463 179.952 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.8 p -116.48 -46.79 2.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.886 0.374 . . . . 0.0 110.795 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.0 m -52.92 164.49 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.828 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.27 -154.7 6.37 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.526 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m 65.68 42.68 3.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.896 0.379 . . . . 0.0 110.87 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 9' ' ' LEU . 18.6 p -45.62 -56.15 5.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.747 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -35.64 -43.45 0.57 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.512 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.478 ' CZ ' HD11 ' A' ' 12' ' ' LEU . 18.6 t80 -64.21 -45.69 87.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.902 0.382 . . . . 0.0 110.903 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 6' ' ' SER . 82.7 mt -51.38 -40.17 58.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.429 HD12 ' O ' ' A' ' 6' ' ' SER . 4.0 mp -63.82 -44.34 98.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.678 HD23 ' HB2' ' A' ' 111' ' ' ALA . 60.2 tp -50.21 -35.48 26.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.656 ' HB3' HD12 ' A' ' 57' ' ' LEU . 9.8 mp -73.17 -49.63 27.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.969 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.858 ' HG2' HD21 ' A' ' 57' ' ' LEU . 15.6 mtm105 -57.82 -44.08 86.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.25 -35.8 66.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.2 m -69.21 -37.36 78.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.744 HD23 ' HD3' ' A' ' 54' ' ' LYS . 37.3 tp -58.84 -38.07 77.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -69.22 -41.73 76.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -55.56 -35.02 65.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.939 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.663 HD13 ' CD2' ' A' ' 72' ' ' PHE . 31.4 mt -70.9 -38.58 73.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 23' ' ' ASP . 8.5 mm-40 -57.8 -40.71 80.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.936 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -43.49 -25.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.0 mmtt -79.51 -36.41 38.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 20' ' ' GLN . 0.7 OUTLIER -64.5 119.38 10.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.901 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.4 p -113.68 -41.01 3.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.135 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.438 ' O ' ' CG ' ' A' ' 26' ' ' ASN . . . -80.1 6.47 59.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.53 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.438 ' CG ' ' O ' ' A' ' 25' ' ' GLY . 2.4 p-10 46.26 41.56 9.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.81 0.338 . . . . 0.0 110.9 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.583 HD13 ' HD1' ' A' ' 89' ' ' PHE . 72.3 mt -85.94 -37.09 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.572 ' CD1' HD11 ' A' ' 96' ' ' LEU . 1.8 m-85 -99.35 -15.1 18.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.09 -10.05 13.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -142.94 151.95 57.51 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-O 121.642 0.734 . . . . 0.0 110.792 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 140.49 42.82 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.641 2.228 . . . . 0.0 112.382 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.1 t -70.65 122.38 86.5 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.611 0.72 . . . . 0.0 111.181 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 144.54 54.47 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.718 2.279 . . . . 0.0 112.336 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.3 mt -82.93 -26.9 30.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.991 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.7 m -46.04 -43.61 14.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -92.1 -20.51 21.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.8 t -126.24 84.82 61.03 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.596 0.713 . . . . 0.0 111.102 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.82 -18.69 36.57 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.63 2.22 . . . . 0.0 112.343 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -114.95 30.48 7.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.841 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -57.16 -60.11 4.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.918 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.422 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 19.2 mt -65.62 -39.8 91.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.95 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 41' ' ' LEU . 0.9 OUTLIER -37.88 -33.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.8 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.475 ' HB2' ' CE1' ' A' ' 82' ' ' TYR . 54.2 m-70 -106.94 -32.29 7.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.449 HD12 ' CB ' ' A' ' 78' ' ' ASN . 19.3 mm -99.59 124.12 52.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.156 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.421 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 6.8 mptt -83.73 -38.02 21.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.847 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.5 mtpt -129.94 88.08 49.87 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.581 0.705 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.422 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 53.9 Cg_endo -69.76 89.23 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.728 2.285 . . . . 0.0 112.316 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 25.9 tpp -94.52 156.03 16.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.924 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -153.86 178.11 10.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.464 ' CE2' ' HB2' ' A' ' 28' ' ' PHE . 3.4 m-85 -69.97 -37.93 75.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -83.8 -34.73 24.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 55.7 m -66.78 -60.51 2.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.115 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.433 ' SD ' HD13 ' A' ' 16' ' ' LEU . 3.0 ppp? -50.27 -32.51 17.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.744 ' HD3' HD23 ' A' ' 16' ' ' LEU . 20.7 tptm -65.17 -40.05 93.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -59.58 -48.38 81.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -61.63 -36.17 80.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.843 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.858 HD21 ' HG2' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -63.5 -42.14 98.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.633 ' N ' HD23 ' A' ' 57' ' ' LEU . 47.1 mt-10 -72.98 -11.83 60.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -98.74 18.33 17.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 53.89 44.56 29.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.945 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 37.7 mtt180 -96.7 -24.84 15.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.519 ' CZ ' ' OD2' ' A' ' 71' ' ' ASP . 18.5 m-85 -107.17 96.99 6.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.7 mt -95.56 -27.93 15.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -113.92 148.24 37.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -56.65 -43.57 80.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -51.3 -32.44 24.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -72.95 -58.65 3.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.821 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.514 ' CG ' ' HG ' ' A' ' 12' ' ' LEU . 76.9 t80 -51.97 -47.67 64.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -58.83 -49.25 78.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -44.06 -55.28 4.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.519 ' OD2' ' CZ ' ' A' ' 62' ' ' TYR . 2.1 m-20 -47.01 -57.88 4.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.833 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.663 ' CD2' HD13 ' A' ' 19' ' ' LEU . 23.7 t80 -50.13 -50.02 50.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.904 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -48.21 -51.41 25.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 75' ' ' ILE . 33.2 mt -50.5 -60.54 2.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.438 ' C ' ' O ' ' A' ' 74' ' ' LEU . 77.1 mt -34.03 -39.38 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.607 HG11 ' HB2' ' A' ' 97' ' ' ARG . 85.9 t -83.12 -46.19 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.165 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 80' ' ' LEU . 14.8 t -58.36 -68.24 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.449 ' CB ' HD12 ' A' ' 44' ' ' ILE . 3.3 p30 -40.05 -38.54 0.74 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.823 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.9 t -74.35 -36.27 63.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.837 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.531 HD12 HG12 ' A' ' 76' ' ' VAL . 88.8 mt -81.31 -10.04 59.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.9 ptmt -103.57 -30.13 10.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.475 ' CE1' ' HB2' ' A' ' 43' ' ' HIS . 4.9 t80 -82.42 -50.78 8.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -100.97 -177.74 3.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.955 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.578 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -128.6 173.21 10.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.493 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 33.3 mttm -49.85 -48.32 51.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.946 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -41.32 -57.36 2.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 72.1 p -55.52 179.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.521 ' O ' ' N ' ' A' ' 90' ' ' TYR . 6.8 mt -93.58 -62.8 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.583 ' HD1' HD13 ' A' ' 27' ' ' ILE . 0.7 OUTLIER -37.38 -27.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.578 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 9.2 t80 -71.39 -57.79 4.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -58.08 -37.16 73.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.934 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.34 -40.66 89.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.32 -40.95 94.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.059 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 11.7 t -53.73 -51.35 44.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -57.07 -52.93 63.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.572 HD11 ' CD1' ' A' ' 28' ' ' PHE . 37.0 mt -45.98 -51.44 13.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.607 ' HB2' HG11 ' A' ' 76' ' ' VAL . 52.4 ttt85 -58.97 -37.86 77.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -72.22 -66.61 0.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -63.81 -53.62 47.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.851 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -45.6 -38.27 7.23 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.461 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -46.56 -35.09 7.1 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.472 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.82 -36.16 81.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.814 0.34 . . . . 0.0 111.112 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 69.7 t -67.34 -42.98 88.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.144 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 80.5 mt -74.86 -31.78 61.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.998 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 34.7 mtm180 -72.62 -34.07 67.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.419 ' HA ' ' NE ' ' A' ' 109' ' ' ARG . 11.1 pt20 -80.32 -26.57 38.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.956 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.437 ' O ' HD21 ' A' ' 11' ' ' LEU . . . -87.89 -25.77 23.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.037 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 61.2 ttt-85 -56.66 -49.36 75.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.419 ' NE ' ' HA ' ' A' ' 106' ' ' GLN . 18.2 ptp180 -53.35 -33.68 54.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.935 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -66.48 -55.03 17.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.958 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.678 ' HB2' HD23 ' A' ' 11' ' ' LEU . . . -55.25 -14.06 1.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -100.25 -44.48 5.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.5 ptmm? -56.61 -30.46 63.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.461 ' HE3' ' HA ' ' A' ' 8' ' ' PHE . 8.2 mtt -43.87 -57.8 3.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.825 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 145.54 108.61 0.58 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.566 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 58.3 m -140.58 135.09 31.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.899 0.38 . . . . 0.0 110.865 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -124.06 -76.13 0.3 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.477 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -2.18 9.76 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.669 2.246 . . . . 0.0 112.312 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.2 t -81.35 -51.1 8.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.953 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 69.8 m -46.63 -61.14 1.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.865 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.567 -179.952 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.648 ' O ' HD12 ' A' ' 10' ' ' ILE . 12.1 p . . . . . 0 CA--C 1.526 0.045 0 CA-C-O 120.93 0.395 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.441 ' HA2' HD13 ' A' ' 10' ' ' ILE . . . -40.46 -46.2 3.53 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.767 ' CE2' HD11 ' A' ' 12' ' ' LEU . 82.2 t80 -59.03 -37.74 77.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.906 0.384 . . . . 0.0 110.895 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.666 HD11 ' CE2' ' A' ' 60' ' ' TYR . 55.2 mt -62.72 -44.68 95.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.648 HD12 ' O ' ' A' ' 6' ' ' SER . 4.9 mp -61.06 -49.58 84.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.523 ' CD2' ' HB2' ' A' ' 111' ' ' ALA . 19.6 tp -50.38 -43.4 54.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.767 HD11 ' CE2' ' A' ' 8' ' ' PHE . 58.2 mt -64.46 -55.29 21.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.428 ' CG ' HD21 ' A' ' 57' ' ' LEU . 25.8 mtp180 -50.97 -40.7 58.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.823 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.421 ' HD2' ' N ' ' A' ' 15' ' ' THR . 0.2 OUTLIER -70.27 -38.26 75.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.571 HG23 HG12 ' A' ' 103' ' ' VAL . 24.3 m -65.36 -56.93 9.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.138 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 26.2 tp -40.05 -45.83 2.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -55.84 -51.01 69.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.652 HE22 ' NE2' ' A' ' 106' ' ' GLN . 39.8 mt-30 -48.0 -45.7 31.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.2 mt -57.97 -46.23 85.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -53.87 -42.07 68.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -46.05 -42.68 13.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -62.17 -41.82 98.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -78.3 90.77 4.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.796 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 52.4 p -82.72 -21.68 34.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.65 -16.78 59.51 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 61.39 38.04 16.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.819 0.342 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.491 HG21 ' HD1' ' A' ' 89' ' ' PHE . 42.6 mt -73.39 -32.36 36.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -103.87 -13.05 16.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -50.59 -29.05 9.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.917 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -124.72 152.09 68.84 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.661 0.743 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 137.03 34.56 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.695 2.264 . . . . 0.0 112.293 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.2 t -62.36 130.51 93.25 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.7 0.762 . . . . 0.0 111.068 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 142.11 47.06 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.731 2.287 . . . . 0.0 112.318 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.1 mt -84.69 -27.41 27.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.4 t -52.53 -37.78 58.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -91.74 -26.14 18.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.0 t -122.76 84.62 49.44 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.556 0.693 . . . . 0.0 111.067 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -21.8 32.98 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.712 2.275 . . . . 0.0 112.378 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -109.29 26.72 10.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -55.56 -61.87 2.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.436 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 42.7 mt -63.39 -36.96 85.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.947 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -42.61 -23.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.423 ' N ' ' O ' ' A' ' 41' ' ' LEU . 50.4 m-70 -115.75 -25.34 7.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.2 mm -107.81 120.15 58.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 40.8 mmtt -80.2 -39.08 29.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.911 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.441 ' HG2' HD13 ' A' ' 74' ' ' LEU . 48.8 tttp -131.93 86.83 46.5 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.567 0.699 . . . . 0.0 110.921 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.436 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 54.0 Cg_endo -69.8 116.9 4.78 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.592 2.195 . . . . 0.0 112.404 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.411 ' C ' HG12 ' A' ' 75' ' ' ILE . 33.3 tpp -123.56 149.62 45.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.42 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 0.3 OUTLIER -149.79 170.99 17.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -61.35 -37.62 83.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -73.8 -44.27 56.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.7 m -61.97 -55.71 26.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 7.4 ptm -50.59 -37.85 42.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.87 -54.02 51.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -50.05 -53.98 23.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -56.09 -42.28 76.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.476 ' C ' HD23 ' A' ' 57' ' ' LEU . 3.8 tt -62.59 -43.35 99.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -69.07 -16.57 63.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.62 10.12 36.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.666 ' CE2' HD11 ' A' ' 9' ' ' LEU . 5.3 m-85 60.49 41.18 16.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.971 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 51.7 mtt180 -89.87 -23.18 21.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -105.46 109.36 21.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.543 ' O ' ' CE2' ' A' ' 8' ' ' PHE . 6.7 mt -106.92 -25.01 11.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.959 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 65' ' ' PHE . 2.0 m-80 -120.34 126.24 50.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.442 ' C ' ' O ' ' A' ' 64' ' ' ASN . 12.5 t80 -34.47 -56.24 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 65' ' ' PHE . 4.1 t70 -35.36 -50.58 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.83 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -61.54 -53.93 49.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.627 ' CG ' HD22 ' A' ' 12' ' ' LEU . 49.9 t80 -55.74 -27.89 52.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -80.35 -38.81 29.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.827 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -51.39 -57.98 7.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -42.64 -57.37 2.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.815 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -50.0 -57.46 7.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -39.42 -53.18 2.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.441 HD13 ' HG2' ' A' ' 46' ' ' LYS . 65.1 mt -53.56 -56.05 20.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 74' ' ' LEU . 65.1 mt -36.23 -38.4 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.698 HG13 ' HB1' ' A' ' 93' ' ' ALA . 60.3 t -86.67 -43.65 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.187 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.3 m -58.84 -67.63 0.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.425 ' CG ' ' O ' ' A' ' 74' ' ' LEU . 2.6 p30 -44.16 -26.04 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.4 t -84.76 -38.74 19.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.568 ' CD1' HG12 ' A' ' 76' ' ' VAL . 65.1 mt -82.67 -10.88 58.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -99.86 -19.72 16.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -99.87 -41.06 7.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -106.5 166.51 10.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.567 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -115.05 164.31 14.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.152 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.57 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 37.3 mttm -43.75 -49.99 7.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.919 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -38.68 -53.86 1.6 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 52.7 p -57.7 174.71 0.22 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.161 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.505 ' O ' ' N ' ' A' ' 90' ' ' TYR . 1.7 mt -89.82 -61.77 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.491 ' HD1' HG21 ' A' ' 27' ' ' ILE . 1.0 OUTLIER -38.9 -25.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.57 ' CD1' ' HA ' ' A' ' 85' ' ' LYS . 6.4 t80 -69.06 -61.18 1.9 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 20.9 mtp85 -59.56 -29.35 67.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.427 ' CB ' HD12 ' A' ' 27' ' ' ILE . . . -70.96 -34.95 71.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.072 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.698 ' HB1' HG13 ' A' ' 76' ' ' VAL . . . -74.73 -34.92 62.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.115 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.5 t -61.49 -41.11 88.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.135 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -64.54 -42.95 95.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.823 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 60.9 mt -61.59 -47.03 87.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.591 ' HB2' HG11 ' A' ' 76' ' ' VAL . 58.7 ttt85 -62.41 -37.69 86.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -72.71 -64.59 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -64.65 -56.4 14.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -39.92 -37.4 0.97 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.464 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -45.75 -41.69 10.21 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.512 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.77 -37.41 84.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.834 0.349 . . . . 0.0 111.054 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.571 HG12 HG23 ' A' ' 15' ' ' THR . 96.7 t -66.24 -46.03 88.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.167 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 89.3 mt -71.84 -25.29 61.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 44.0 mtt180 -79.54 -32.71 42.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.854 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.652 ' NE2' HE22 ' A' ' 18' ' ' GLN . 8.5 pt20 -81.09 -32.72 33.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.403 ' N ' ' HG3' ' A' ' 106' ' ' GLN . . . -82.82 -25.26 32.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.058 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.8 tpp85 -60.81 -47.35 86.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -58.19 -33.55 69.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.829 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -67.48 -52.93 33.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.523 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . . . -56.53 -15.06 3.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -100.96 -40.28 7.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.3 ptmm? -63.7 -22.6 66.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 8.9 mtt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.832 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 9' ' ' LEU . 2.0 m . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.987 0.422 . . . . 0.0 110.83 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.38 -57.52 1.43 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.484 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.806 ' CE2' HD11 ' A' ' 12' ' ' LEU . 46.5 t80 -47.57 -36.49 10.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 0.0 110.881 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.554 HD11 ' CE2' ' A' ' 60' ' ' TYR . 14.3 mt -60.32 -41.99 94.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 mp -65.05 -43.05 96.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.531 ' CD2' ' HB2' ' A' ' 111' ' ' ALA . 18.1 tp -58.12 -35.6 71.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.923 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.806 HD11 ' CE2' ' A' ' 8' ' ' PHE . 96.0 mt -72.7 -46.47 53.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 -64.45 -39.08 93.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -73.91 -35.24 64.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.444 ' N ' ' HG3' ' A' ' 14' ' ' LYS . 21.5 m -72.16 -42.25 66.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.424 HD13 ' SD ' ' A' ' 53' ' ' MET . 20.1 tp -54.91 -38.0 67.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.952 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -65.0 -45.42 85.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -51.3 -46.03 62.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.472 HD13 ' CD2' ' A' ' 72' ' ' PHE . 35.9 mt -58.28 -50.59 73.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -45.26 -47.7 12.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -42.31 -45.49 4.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.411 ' HB2' HD23 ' A' ' 96' ' ' LEU . 30.7 mmtm -52.16 -44.25 64.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -75.75 107.31 7.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.868 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 67.3 p -90.11 -29.89 18.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.75 -21.69 68.24 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.427 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 m120 65.33 32.09 10.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.341 . . . . 0.0 110.935 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.751 HD13 ' HD1' ' A' ' 89' ' ' PHE . 62.4 mt -67.78 -40.18 83.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.083 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.401 ' HB2' ' CD2' ' A' ' 50' ' ' PHE . 2.0 m-85 -92.32 -12.59 32.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -52.44 -17.34 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.827 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -132.69 151.89 78.93 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.688 0.756 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 137.51 35.48 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.66 2.24 . . . . 0.0 112.318 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 88.4 t -62.38 122.36 72.77 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.615 0.722 . . . . 0.0 111.134 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 121.34 8.04 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.639 2.226 . . . . 0.0 112.362 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 53.3 mt -65.04 -23.15 67.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.8 t -58.54 -38.61 78.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.811 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -88.53 -30.5 19.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.6 t -120.48 84.34 35.71 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.606 0.717 . . . . 0.0 111.123 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 -18.22 37.31 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.71 2.274 . . . . 0.0 112.35 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 39' ' ' ASP . 1.5 p-10 -109.75 24.93 12.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.421 ' CE2' ' HB3' ' A' ' 47' ' ' PRO . 22.6 t80 -57.83 -56.77 17.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.469 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 25.3 mt -69.33 -30.57 68.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -48.88 -37.9 21.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -106.48 -24.97 12.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.4 mm -104.25 100.78 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.141 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 50.8 mmtt -59.69 -47.88 83.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.421 ' HE2' ' CD1' ' A' ' 74' ' ' LEU . 36.0 tttt -131.99 87.74 43.47 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.508 0.67 . . . . 0.0 110.871 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.469 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 53.3 Cg_endo -69.85 148.13 63.84 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.643 2.228 . . . . 0.0 112.292 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.448 ' O ' ' CG ' ' A' ' 49' ' ' ASP . 32.4 tpp -141.78 165.39 27.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.799 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.448 ' CG ' ' O ' ' A' ' 48' ' ' MET . 4.2 m-20 -162.6 175.61 11.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.401 ' CD2' ' HB2' ' A' ' 28' ' ' PHE . 3.5 m-85 -70.29 -35.74 73.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.531 ' C ' ' CD1' ' A' ' 51' ' ' PHE . 0.4 OUTLIER -83.14 -36.52 24.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 59.1 m -61.0 -54.66 42.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.424 ' SD ' HD13 ' A' ' 16' ' ' LEU . 24.0 ptm -55.98 -39.18 71.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -54.17 -51.52 64.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -52.73 -55.31 23.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 42.2 m-20 -57.73 -42.8 84.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.493 ' C ' HD23 ' A' ' 57' ' ' LEU . 2.7 tt -59.71 -45.6 91.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.476 ' N ' HD23 ' A' ' 57' ' ' LEU . 21.2 mm-40 -66.82 -22.07 66.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.11 15.16 6.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.554 ' CE2' HD11 ' A' ' 9' ' ' LEU . 9.4 m-85 55.26 39.67 31.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.949 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 49.7 mtt180 -89.02 -25.51 21.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.823 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -103.94 116.18 31.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.6 mt -115.11 -23.9 8.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -119.7 141.48 49.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -50.73 -46.47 59.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -50.74 -25.08 3.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.797 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -86.73 -45.48 10.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.509 ' CG ' HD22 ' A' ' 12' ' ' LEU . 59.4 t80 -66.65 -25.31 66.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -89.34 -23.32 22.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -62.43 -45.41 93.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.836 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.486 ' OD1' ' N ' ' A' ' 72' ' ' PHE . 0.5 OUTLIER -64.72 -51.89 59.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.507 ' HA ' HD12 ' A' ' 75' ' ' ILE . 2.0 t80 -50.17 -38.44 39.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -62.5 -37.2 85.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.421 ' CD1' ' HE2' ' A' ' 46' ' ' LYS . 39.4 mt -63.83 -45.8 87.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.507 HD12 ' HA ' ' A' ' 72' ' ' PHE . 68.7 mt -48.04 -30.11 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.126 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.537 HG11 ' HB2' ' A' ' 97' ' ' ARG . 57.7 t -91.85 -50.04 12.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.106 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 80' ' ' LEU . 1.6 t -57.14 -66.68 0.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.431 ' ND2' ' HA ' ' A' ' 47' ' ' PRO . 90.0 m-20 -38.4 -41.18 0.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 34.5 t -70.97 -41.61 70.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 77' ' ' SER . 85.2 mt -74.67 -12.67 60.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -97.02 -34.99 10.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -78.77 -57.41 3.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.564 ' HB3' HG21 ' A' ' 87' ' ' THR . 7.7 m-20 -103.27 173.86 6.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.642 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -120.95 179.45 4.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.458 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 14.1 mtpp -51.59 -38.1 52.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -48.49 -36.32 14.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.564 HG21 ' HB3' ' A' ' 83' ' ' ASN . 61.8 p -79.91 169.5 17.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.175 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.502 HG22 ' N ' ' A' ' 89' ' ' PHE . 4.8 mt -83.27 -64.35 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.751 ' HD1' HD13 ' A' ' 27' ' ' ILE . 1.1 m-85 -38.84 -25.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.642 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 8.7 t80 -67.86 -47.54 68.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.429 ' NH1' ' HB3' ' A' ' 91' ' ' ARG . 10.0 mtp-105 -64.49 -48.96 73.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.958 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.56 -44.17 69.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.119 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.24 -41.41 96.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 38.8 t -58.59 -37.57 65.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.156 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.7 ttt180 -70.42 -48.88 54.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 100' ' ' GLY . 77.5 mt -54.39 -49.38 70.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.537 ' HB2' HG11 ' A' ' 76' ' ' VAL . 49.0 ttt85 -58.14 -41.24 83.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.836 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -69.89 -67.0 0.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -64.18 -54.5 32.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -41.22 -39.47 2.21 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.513 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -49.72 -40.91 34.18 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.411 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.64 -29.44 69.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.812 0.339 . . . . 0.0 111.068 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.1 t -77.37 -40.18 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 73.9 mt -73.54 -26.18 60.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.996 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 24.3 mtp180 -82.34 -32.22 29.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -79.33 -25.09 42.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -92.08 -27.25 17.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.171 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 35.0 ttp85 -56.72 -50.3 72.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -51.17 -33.48 27.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -67.25 -59.26 3.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.531 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . . . -47.81 -21.44 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.074 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -94.97 -45.9 7.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 10.1 pttp -55.43 -19.79 10.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.821 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 8.9 mmt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.892 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 9' ' ' LEU . 1.6 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.929 0.395 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.439 ' HA2' HD13 ' A' ' 10' ' ' ILE . . . -40.03 -38.08 1.16 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.444 ' CZ ' HD11 ' A' ' 12' ' ' LEU . 56.9 t80 -65.32 -41.1 94.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.357 . . . . 0.0 110.889 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 6' ' ' SER . 67.6 mt -55.67 -34.93 65.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.495 HD12 ' N ' ' A' ' 10' ' ' ILE . 3.5 mp -69.11 -46.05 78.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.651 ' CD2' ' HB2' ' A' ' 111' ' ' ALA . 52.5 tp -52.34 -32.63 39.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.732 ' HB3' HD12 ' A' ' 57' ' ' LEU . 6.2 mp -75.39 -50.25 16.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.981 ' HG2' HD21 ' A' ' 57' ' ' LEU . 71.9 mtp180 -60.89 -36.05 78.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -77.2 -35.31 55.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.427 ' N ' ' HG3' ' A' ' 14' ' ' LYS . 17.7 m -71.59 -40.32 69.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.138 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.487 ' CD2' ' CD ' ' A' ' 54' ' ' LYS . 9.4 tp -55.47 -40.61 71.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.982 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -63.86 -42.52 97.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -54.3 -40.67 68.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.837 HD13 ' CD2' ' A' ' 72' ' ' PHE . 65.0 mt -64.17 -51.41 63.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' A' ' 23' ' ' ASP . 12.5 mt-30 -46.07 -47.52 17.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -40.4 -39.16 0.93 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -61.15 -42.03 97.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 20' ' ' GLN . 40.2 t0 -75.89 107.29 7.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.836 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 66.7 p -89.51 -25.78 21.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.02 -19.33 57.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.518 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.5 m120 66.05 35.79 6.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.34 . . . . 0.0 110.937 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.52 HD13 ' HD1' ' A' ' 89' ' ' PHE . 67.1 mt -68.88 -44.25 81.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.173 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.457 ' HB2' ' CD2' ' A' ' 50' ' ' PHE . 1.1 m-85 -91.94 -5.03 53.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -62.33 -12.82 23.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.815 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -144.49 150.73 48.62 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.647 0.737 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 150.17 67.75 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.676 2.251 . . . . 0.0 112.333 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.8 t -80.19 123.68 83.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.64 0.733 . . . . 0.0 111.19 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 124.25 10.88 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.626 2.217 . . . . 0.0 112.326 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.7 mt -59.69 -33.55 71.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.6 m -45.01 -35.03 2.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.804 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -94.74 -29.73 14.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.8 t -125.3 86.23 57.29 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.708 0.766 . . . . 0.0 111.144 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.66 -18.53 37.44 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.634 2.223 . . . . 0.0 112.38 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -107.25 22.22 16.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.418 ' CE2' ' HB3' ' A' ' 47' ' ' PRO . 13.9 t80 -56.45 -65.01 0.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.452 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 16.3 mt -61.86 -41.33 97.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -38.13 -36.33 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.431 ' HB2' ' CE1' ' A' ' 82' ' ' TYR . 59.3 m-70 -104.96 -31.28 9.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.8 mm -101.57 119.19 49.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.5 mmtm -77.86 -43.04 31.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -128.02 87.24 56.09 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.616 0.722 . . . . 0.0 110.837 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.452 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 53.5 Cg_endo -69.82 93.76 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.669 2.246 . . . . 0.0 112.283 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 35.4 tpp -91.78 157.98 16.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.96 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -159.85 159.85 33.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.457 ' CD2' ' HB2' ' A' ' 28' ' ' PHE . 9.7 m-85 -53.93 -34.07 58.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -85.88 -39.31 17.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 27.7 m -61.13 -51.18 70.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.457 ' SD ' HD13 ' A' ' 16' ' ' LEU . 11.1 ptm -57.05 -34.71 68.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.487 ' CD ' ' CD2' ' A' ' 16' ' ' LEU . 16.1 tptm -58.07 -51.89 67.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -49.79 -50.89 43.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -64.79 -40.27 94.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.981 HD21 ' HG2' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -59.86 -41.72 92.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.946 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.658 ' N ' HD23 ' A' ' 57' ' ' LEU . 15.4 mt-10 -81.07 -6.39 58.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -98.28 16.81 20.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.073 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 57.78 35.74 25.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.6 mtt180 -90.13 -25.84 20.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -107.8 113.22 26.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.963 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.4 mt -110.34 -26.72 9.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.513 ' N ' ' ND2' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -122.47 143.88 49.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -51.51 -40.4 59.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -51.59 -25.64 7.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -87.43 -50.13 6.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.443 ' CG ' ' HG ' ' A' ' 12' ' ' LEU . 45.5 t80 -63.77 -21.01 66.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.91 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -88.16 -22.0 24.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.87 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -69.66 -52.78 22.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.84 -51.69 65.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.837 ' CD2' HD13 ' A' ' 19' ' ' LEU . 5.4 t80 -51.87 -39.53 59.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -61.22 -34.61 75.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.935 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 76' ' ' VAL . 34.8 mt -67.31 -54.36 21.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 72' ' ' PHE . 73.8 mt -38.93 -27.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.19 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.684 HG11 ' HB2' ' A' ' 97' ' ' ARG . 74.2 t -94.95 -43.52 13.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.142 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 80' ' ' LEU . 9.2 t -59.85 -68.78 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -41.44 -31.66 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 3.8 t -80.89 -38.81 27.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.586 HD12 HG12 ' A' ' 76' ' ' VAL . 74.8 mt -79.52 -12.03 59.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.46 ' CG ' ' N ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -98.28 -45.94 6.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.836 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.46 ' N ' ' CG ' ' A' ' 81' ' ' LYS . 10.3 t80 -66.6 -56.43 10.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.963 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -98.14 172.34 7.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.639 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -119.5 164.22 16.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.559 ' HG3' ' CE1' ' A' ' 90' ' ' TYR . 66.0 mttt -41.48 -44.02 2.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -41.15 -47.37 3.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 43.0 p -69.28 170.42 10.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.502 ' O ' ' N ' ' A' ' 90' ' ' TYR . 1.6 mt -82.32 -61.45 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.52 ' HD1' HD13 ' A' ' 27' ' ' ILE . 1.4 m-85 -39.03 -25.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.639 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 6.1 t80 -70.52 -60.56 2.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.941 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -55.47 -37.0 67.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.19 -43.84 90.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.076 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.552 ' HB1' HG13 ' A' ' 76' ' ' VAL . . . -61.55 -42.51 98.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.019 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.529 HG23 HD21 ' A' ' 80' ' ' LEU . 37.6 t -54.73 -42.39 61.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.427 ' HD2' ' NE2' ' A' ' 99' ' ' GLN . 5.8 ttp-105 -61.52 -59.98 4.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 100' ' ' GLY . 86.0 mt -45.29 -50.22 12.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.971 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.684 ' HB2' HG11 ' A' ' 76' ' ' VAL . 58.3 ttt85 -57.28 -41.0 78.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -74.07 -67.38 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.427 ' NE2' ' HD2' ' A' ' 95' ' ' ARG . 59.2 mt-30 -62.75 -54.03 45.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -45.19 -34.57 4.49 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.533 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -49.76 -41.69 35.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.478 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.2 -25.14 68.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.341 . . . . 0.0 111.094 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 97.2 t -78.64 -38.85 22.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 57.7 mt -78.77 -16.48 57.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 70.0 mtm180 -89.3 -39.5 13.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.81 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.591 ' NE2' ' HB2' ' A' ' 107' ' ' ALA . 3.8 pp0? -69.65 -29.53 67.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.591 ' HB2' ' NE2' ' A' ' 106' ' ' GLN . . . -85.46 -29.54 24.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -51.17 -43.99 61.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -57.22 -37.42 72.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -65.05 -53.17 49.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.651 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . . . -54.12 -15.96 1.77 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -101.63 -38.43 7.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 11.6 pttp -62.54 -21.1 65.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 7.1 mtt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.92 179.866 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.527 ' O ' HD12 ' A' ' 10' ' ' ILE . 5.5 m . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.949 0.404 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -40.44 -56.82 2.82 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.502 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.82 ' CE2' HD11 ' A' ' 12' ' ' LEU . 68.2 t80 -46.7 -45.59 19.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.911 0.386 . . . . 0.0 110.901 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.55 HD11 ' CE2' ' A' ' 60' ' ' TYR . 21.9 mt -51.94 -54.72 26.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.654 HD12 ' H ' ' A' ' 10' ' ' ILE . 5.0 mp -53.76 -56.32 9.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.9 tp -41.75 -40.52 2.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.82 HD11 ' CE2' ' A' ' 8' ' ' PHE . 72.1 mt -68.9 -45.07 71.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.481 ' HG2' HD21 ' A' ' 57' ' ' LEU . 54.0 mtm180 -58.32 -42.7 87.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 15' ' ' THR . 0.2 OUTLIER -72.35 -38.63 68.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.434 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 87.0 m -68.18 -35.33 77.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.181 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.427 HD13 ' SD ' ' A' ' 53' ' ' MET . 35.9 tp -62.02 -39.55 92.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -65.48 -45.04 85.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -53.54 -35.6 60.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.451 HD13 ' CD2' ' A' ' 72' ' ' PHE . 50.2 mt -67.78 -39.34 84.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -59.9 -44.62 94.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -42.07 -45.78 4.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.946 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.469 ' HB2' ' CD2' ' A' ' 96' ' ' LEU . 28.9 mmtm -53.73 -42.24 67.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -78.88 85.1 4.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 52.1 p -70.99 -27.64 63.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.54 -17.05 69.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.437 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.0 m120 62.42 34.42 15.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.862 0.363 . . . . 0.0 110.914 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.428 HG21 ' HD1' ' A' ' 89' ' ' PHE . 21.4 mt -68.8 -36.59 74.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.173 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -99.65 -10.05 22.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -56.88 -14.08 3.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -140.16 152.1 66.42 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.699 0.761 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 137.8 36.3 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.678 2.252 . . . . 0.0 112.343 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.5 t -65.17 129.96 94.63 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.584 0.707 . . . . 0.0 111.073 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 146.21 59.67 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.651 2.234 . . . . 0.0 112.332 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 54.0 mt -84.48 -25.35 28.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.5 t -52.99 -42.89 66.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.771 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -89.85 -22.38 22.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.818 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.1 t -127.19 83.08 66.92 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.622 0.725 . . . . 0.0 111.072 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -20.82 34.09 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.739 2.293 . . . . 0.0 112.353 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -110.61 26.52 10.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -52.9 -52.5 57.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 43' ' ' HIS . 54.1 mt -73.46 -37.85 65.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 41' ' ' LEU . 15.9 t70 -37.08 -30.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.465 ' N ' ' O ' ' A' ' 41' ' ' LEU . 39.5 m-70 -111.42 -35.06 5.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.4 mm -94.5 129.9 44.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.1 mmtt -89.86 -41.6 11.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.898 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.1 tttp -128.78 87.16 55.56 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.599 0.714 . . . . 0.0 110.878 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 109.63 2.37 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.694 2.263 . . . . 0.0 112.353 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 25.8 tpp -110.45 162.51 14.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -160.8 172.84 16.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -62.65 -56.52 16.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -65.86 -42.85 89.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.5 m -58.37 -54.54 45.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.439 ' HG3' ' N ' ' A' ' 54' ' ' LYS . 2.4 ppp? -55.1 -33.55 62.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.446 ' HD2' HD22 ' A' ' 57' ' ' LEU . 9.6 tptm -64.16 -48.03 77.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -52.07 -45.11 64.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.838 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -68.17 -37.66 81.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.804 HD23 ' N ' ' A' ' 58' ' ' GLU . 0.9 OUTLIER -61.75 -57.05 13.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.804 ' N ' HD23 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -57.91 -20.74 39.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.23 9.99 13.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.158 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.55 ' CE2' HD11 ' A' ' 9' ' ' LEU . 16.3 m-85 60.22 43.18 14.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.1 mtt85 -94.54 -23.95 17.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.474 ' CZ ' ' OD2' ' A' ' 71' ' ' ASP . 13.8 m-85 -107.53 111.52 23.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.977 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.6 mt -107.46 -23.09 12.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -117.44 134.32 54.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -42.99 -38.01 2.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -55.56 -42.18 74.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -64.73 -60.9 2.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.515 ' CG ' HD22 ' A' ' 12' ' ' LEU . 48.7 t80 -48.3 -45.11 34.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -67.1 -50.79 60.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -38.61 -52.53 1.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.474 ' OD2' ' CZ ' ' A' ' 62' ' ' TYR . 15.0 m-20 -52.69 -55.72 20.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.832 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.451 ' CD2' HD13 ' A' ' 19' ' ' LEU . 10.6 t80 -50.64 -43.3 57.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -53.0 -56.1 18.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.446 ' HB3' ' ND2' ' A' ' 78' ' ' ASN . 73.9 mt -44.49 -52.0 8.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 83.5 mt -40.48 -46.64 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.653 HG11 ' HB2' ' A' ' 97' ' ' ARG . 84.0 t -77.63 -51.5 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.074 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 80' ' ' LEU . 12.8 m -56.05 -65.57 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.811 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.446 ' ND2' ' HB3' ' A' ' 74' ' ' LEU . 83.7 m-20 -40.98 -33.01 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 6.4 t -76.72 -42.55 40.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.52 ' CD1' HG12 ' A' ' 76' ' ' VAL . 10.9 mt -75.28 -15.03 60.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -94.31 -25.39 17.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -84.33 -55.68 4.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.957 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.559 ' HB3' HG21 ' A' ' 87' ' ' THR . 6.1 m-80 -108.71 -175.34 2.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.566 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -119.45 -174.55 2.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.576 ' HG3' ' CE1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -64.78 -15.16 61.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.86 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -72.54 -27.97 62.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.852 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.559 HG21 ' HB3' ' A' ' 83' ' ' ASN . 72.9 p -85.77 165.42 16.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.523 HG22 ' N ' ' A' ' 89' ' ' PHE . 3.9 mt -76.67 -65.0 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.523 ' N ' HG22 ' A' ' 88' ' ' ILE . 0.8 OUTLIER -37.92 -26.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.576 ' CE1' ' HG3' ' A' ' 85' ' ' LYS . 4.5 t80 -72.88 -68.36 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.011 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 44.2 mtp85 -49.01 -41.07 33.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.82 -40.98 99.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.409 ' HB1' HG13 ' A' ' 76' ' ' VAL . . . -67.33 -40.53 85.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 24.4 t -54.9 -41.42 57.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -64.82 -43.52 92.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 22' ' ' LYS . 31.6 mt -58.29 -43.21 87.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.653 ' HB2' HG11 ' A' ' 76' ' ' VAL . 49.7 ttt85 -63.14 -35.84 81.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -75.39 -60.5 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -68.87 -56.96 6.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.984 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -38.26 -39.86 0.8 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.463 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -45.76 -47.95 13.34 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.43 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.02 -27.69 33.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 111.093 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 68.9 t -79.27 -45.57 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 56.4 mt -72.96 -17.62 61.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.0 mtp180 -87.34 -38.04 16.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -74.05 -35.51 64.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.28 -21.99 42.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 7.8 tpp85 -59.61 -50.36 74.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -55.55 -32.31 62.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -68.66 -57.61 5.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.42 -14.86 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.087 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -100.46 -40.22 7.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -60.35 -25.16 65.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.818 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 14.0 mmt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 179.856 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.475 ' O ' ' N ' ' A' ' 9' ' ' LEU . 10.1 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.908 0.385 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -34.35 -43.87 0.38 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.518 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.549 ' CE2' HD11 ' A' ' 12' ' ' LEU . 87.8 t80 -58.17 -44.76 88.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 110.836 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.574 ' CD1' ' CE2' ' A' ' 60' ' ' TYR . 70.0 mt -59.47 -41.11 89.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.408 HD12 ' H ' ' A' ' 10' ' ' ILE . 4.5 mp -68.56 -43.7 83.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.7 tp -52.96 -39.99 63.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.549 HD11 ' CE2' ' A' ' 8' ' ' PHE . 47.4 mt -69.29 -52.6 25.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.539 ' CG ' HD21 ' A' ' 57' ' ' LEU . 79.7 mtt180 -48.06 -44.21 31.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.462 ' HD2' ' N ' ' A' ' 15' ' ' THR . 0.2 OUTLIER -71.12 -42.97 68.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.566 HG23 HG12 ' A' ' 103' ' ' VAL . 54.1 m -58.08 -49.68 76.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.784 HD13 ' SD ' ' A' ' 53' ' ' MET . 20.6 tp -50.32 -46.66 55.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -54.13 -51.84 62.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -45.7 -48.4 15.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.591 HD13 ' CD2' ' A' ' 72' ' ' PHE . 18.5 mt -57.53 -46.45 83.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -51.3 -43.69 61.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -48.86 -43.68 39.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.4 mmtt -58.02 -40.82 81.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -71.9 79.74 0.89 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.5 p -66.21 -35.85 81.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.426 ' O ' ' CG ' ' A' ' 26' ' ' ASN . . . -78.28 -9.15 87.21 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.437 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.426 ' CG ' ' O ' ' A' ' 25' ' ' GLY . 5.1 p-10 46.82 44.75 14.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.797 0.332 . . . . 0.0 110.88 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.587 HG21 ' HD1' ' A' ' 89' ' ' PHE . 86.4 mt -79.83 -38.76 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -92.06 -15.83 27.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -49.32 -18.73 0.4 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -132.53 152.34 79.82 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.697 0.76 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 133.56 25.84 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.642 2.228 . . . . 0.0 112.337 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.6 t -59.85 126.07 82.2 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.666 0.746 . . . . 0.0 111.162 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 141.95 46.77 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.685 2.257 . . . . 0.0 112.377 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 41.3 mt -82.46 -26.06 32.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.949 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.0 m -50.83 -40.91 56.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -90.81 -28.42 18.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.6 t -120.21 83.98 33.24 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.683 0.754 . . . . 0.0 111.126 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -17.9 37.51 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.695 2.264 . . . . 0.0 112.31 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -112.38 27.42 9.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -58.27 -61.96 2.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.441 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 24.7 mt -64.65 -33.09 75.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.899 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.0 -33.97 2.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.491 ' HB2' ' CE1' ' A' ' 82' ' ' TYR . 36.4 m-70 -105.75 -30.79 9.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.457 ' CD1' ' HD3' ' A' ' 81' ' ' LYS . 11.7 mm -101.47 123.7 54.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -82.27 -45.3 15.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.9 tttp -125.55 86.84 56.7 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.526 0.679 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.441 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 53.2 Cg_endo -69.73 113.41 3.36 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.642 2.228 . . . . 0.0 112.356 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 42.3 tpp -110.69 157.18 20.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -150.74 179.92 7.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -75.6 -39.68 57.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -77.48 -40.15 44.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.6 m -63.01 -52.71 61.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.152 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.784 ' SD ' HD13 ' A' ' 16' ' ' LEU . 3.6 ppp? -53.92 -36.53 62.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.635 ' HD3' HD23 ' A' ' 16' ' ' LEU . 14.8 tptm -65.68 -45.15 83.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -54.73 -46.33 74.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -66.25 -39.36 89.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.539 HD21 ' CG ' ' A' ' 13' ' ' ARG . 1.9 tt -61.08 -42.86 99.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.424 ' N ' HD23 ' A' ' 57' ' ' LEU . 8.1 mm-40 -67.71 -19.43 65.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.36 20.53 7.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.154 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.574 ' CE2' ' CD1' ' A' ' 9' ' ' LEU . 8.2 m-85 51.61 43.68 29.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.1 mtt-85 -93.26 -22.4 19.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -110.15 107.97 17.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.497 ' O ' ' CE2' ' A' ' 8' ' ' PHE . 7.2 mt -105.74 -25.58 12.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -114.15 146.04 40.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -55.07 -49.5 71.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -46.04 -32.19 2.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.933 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -76.45 -59.65 2.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.432 ' CG ' HD22 ' A' ' 12' ' ' LEU . 20.0 t80 -54.87 -25.5 29.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -84.93 -31.16 23.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -58.2 -56.5 21.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.836 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.532 ' CG ' ' N ' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -49.26 -54.91 14.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.852 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.591 ' CD2' HD13 ' A' ' 19' ' ' LEU . 12.8 t80 -50.73 -45.33 58.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -57.74 -49.42 76.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 74' ' ' LEU . 14.7 mt -44.78 -52.49 8.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 57.7 mt -47.25 -47.15 9.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.404 HG11 ' HB2' ' A' ' 97' ' ' ARG . 89.4 t -67.91 -53.74 28.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 80' ' ' LEU . 10.3 p -61.96 -66.69 0.5 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 77' ' ' SER . 77.5 m-20 -36.18 -31.16 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.867 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.482 ' N ' ' O ' ' A' ' 77' ' ' SER . 7.8 t -81.22 -44.14 18.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 77' ' ' SER . 27.5 mt -71.79 -19.32 62.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.457 ' HD3' ' CD1' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -89.95 -36.23 15.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.844 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.491 ' CE1' ' HB2' ' A' ' 43' ' ' HIS . 12.7 t80 -77.48 -52.64 8.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.914 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.553 ' HB3' HG21 ' A' ' 87' ' ' THR . 1.8 m-80 -103.75 -176.38 3.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.647 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -125.68 -178.42 4.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.069 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.446 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -54.25 -34.3 60.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.937 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.08 -61.0 2.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.553 HG21 ' HB3' ' A' ' 83' ' ' ASN . 66.8 p -49.07 170.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.504 ' O ' ' N ' ' A' ' 90' ' ' TYR . 7.5 mt -87.07 -64.19 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.171 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.587 ' HD1' HG21 ' A' ' 27' ' ' ILE . 0.8 OUTLIER -38.16 -26.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.647 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 7.8 t80 -68.41 -65.76 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.954 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 52.8 mtt-85 -52.15 -41.4 62.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.46 -48.04 83.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.072 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -55.67 -45.11 77.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 43.5 t -50.53 -51.81 17.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.16 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 6.2 ttp-105 -55.75 -54.98 37.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 13.3 mt -43.97 -47.53 8.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.404 ' HB2' HG11 ' A' ' 76' ' ' VAL . 50.6 ttt-85 -64.91 -35.16 80.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -65.12 -66.53 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -69.04 -49.12 60.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -42.15 -39.8 3.15 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -47.06 -44.76 19.51 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.538 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.65 -27.15 62.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.836 0.35 . . . . 0.0 111.126 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.566 HG12 HG23 ' A' ' 15' ' ' THR . 87.6 t -82.1 -40.64 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 68.4 mt -75.76 -19.04 59.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 24.7 mtt85 -89.95 -39.27 13.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -70.88 -20.5 62.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -93.81 -38.37 11.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.048 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -47.55 -46.0 27.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -57.4 -34.58 69.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.954 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -66.68 -54.03 27.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.31 -16.92 1.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -94.92 -41.45 9.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 11.9 pttp -62.8 -28.37 69.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 8.3 mmt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.855 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 9' ' ' LEU . 4.4 p . . . . . 0 CA--C 1.526 0.057 0 CA-C-O 120.93 0.395 . . . . 0.0 110.818 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.92 -45.68 1.63 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.457 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.493 ' CE1' HD11 ' A' ' 12' ' ' LEU . 43.8 t80 -60.18 -41.53 93.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.94 0.4 . . . . 0.0 110.899 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.711 HD11 ' CE2' ' A' ' 60' ' ' TYR . 18.9 mt -54.1 -41.94 68.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.976 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.439 HD12 ' H ' ' A' ' 10' ' ' ILE . 3.3 mp -59.24 -44.56 92.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.141 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 52.0 tp -53.53 -38.23 63.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.76 ' HB3' HD12 ' A' ' 57' ' ' LEU . 7.5 mp -74.59 -47.54 31.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.81 ' HG2' HD21 ' A' ' 57' ' ' LEU . 38.7 mtp180 -61.52 -32.98 73.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -83.68 -32.9 25.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.438 ' N ' ' HG3' ' A' ' 14' ' ' LYS . 18.5 m -73.43 -37.77 65.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.218 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.62 HD13 ' SD ' ' A' ' 53' ' ' MET . 29.1 tp -56.98 -40.72 77.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -65.04 -47.89 75.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -53.61 -31.2 46.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.973 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.414 HD13 ' CD2' ' A' ' 72' ' ' PHE . 96.2 mt -73.33 -45.57 54.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.401 ' O ' ' N ' ' A' ' 23' ' ' ASP . 10.5 mt-30 -53.41 -39.01 63.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -40.55 -42.84 1.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.582 ' HB2' HD23 ' A' ' 96' ' ' LEU . 24.8 mmtm -60.33 -42.33 95.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 20' ' ' GLN . 56.1 t0 -69.5 117.76 11.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.969 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.6 p -115.79 -24.95 7.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.203 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.44 ' O ' ' CG ' ' A' ' 26' ' ' ASN . . . -87.78 5.72 84.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.44 ' CG ' ' O ' ' A' ' 25' ' ' GLY . 1.9 p-10 46.25 42.71 10.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.828 0.347 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.481 HD13 ' HD1' ' A' ' 89' ' ' PHE . 74.7 mt -87.02 -36.59 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.063 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.58 ' CD1' HD11 ' A' ' 96' ' ' LEU . 4.3 m-85 -100.21 -14.81 18.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 t -51.97 -30.14 23.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -127.19 152.29 75.75 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.678 0.752 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.82 135.84 31.34 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.629 2.219 . . . . 0.0 112.392 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.3 t -53.86 126.48 50.52 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.663 0.745 . . . . 0.0 111.127 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 136.97 34.54 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.686 2.257 . . . . 0.0 112.354 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.3 mt -81.48 -38.49 26.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.9 t -48.09 -25.7 1.55 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -102.76 -29.45 11.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -130.81 83.84 60.26 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.625 0.726 . . . . 0.0 111.185 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -18.36 37.09 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.714 2.276 . . . . 0.0 112.298 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.49 ' OD1' ' CB ' ' A' ' 42' ' ' ASP . 6.4 t0 -99.28 14.32 29.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -57.86 -58.31 8.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.98 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.4 mt -63.02 -34.76 78.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.49 ' CB ' ' OD1' ' A' ' 39' ' ' ASP . 24.5 t0 -45.91 -41.76 11.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 45.4 m-70 -97.02 -41.58 8.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.9 mm -89.85 115.44 29.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.132 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.7 mmtm -75.03 -47.28 29.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -124.94 86.92 55.94 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.606 0.717 . . . . 0.0 110.879 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 97.8 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.669 2.246 . . . . 0.0 112.316 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.1 tpp -102.23 149.78 23.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -143.07 -177.44 5.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -73.89 -30.3 62.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -86.25 -47.5 9.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.6 m -54.17 -54.08 44.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.112 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.62 ' SD ' HD13 ' A' ' 16' ' ' LEU . 28.1 ptm -55.01 -38.27 67.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.816 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.595 ' HD2' HD22 ' A' ' 57' ' ' LEU . 13.3 tptm -58.39 -46.02 87.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -56.25 -58.32 8.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 57.6 m-20 -52.37 -39.52 60.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.951 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.81 HD21 ' HG2' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -58.71 -41.52 86.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.858 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.619 ' N ' HD23 ' A' ' 57' ' ' LEU . 58.8 mt-10 -76.02 -10.12 59.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -98.26 19.69 13.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.073 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.711 ' CE2' HD11 ' A' ' 9' ' ' LEU . 76.7 m-85 51.67 41.66 29.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 -93.04 -24.27 18.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -107.11 118.49 36.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.962 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.3 mt -117.04 -23.12 8.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.951 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -119.09 143.04 47.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -55.17 -41.78 72.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -52.24 -29.95 25.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -76.79 -62.44 1.64 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.419 ' CG ' ' HG ' ' A' ' 12' ' ' LEU . 24.2 t80 -50.88 -35.01 30.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -76.45 -21.06 56.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -73.83 -48.5 30.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 72' ' ' PHE . 0.3 OUTLIER -55.72 -44.72 77.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.743 ' HA ' HD12 ' A' ' 75' ' ' ILE . 7.6 t80 -57.19 -50.25 73.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 -50.2 -47.52 54.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.454 ' HB3' ' ND2' ' A' ' 78' ' ' ASN . 15.2 mt -49.47 -43.83 45.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.743 HD12 ' HA ' ' A' ' 72' ' ' PHE . 26.6 mt -53.51 -46.0 59.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.513 HG11 ' HB2' ' A' ' 97' ' ' ARG . 55.6 t -71.24 -56.15 11.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.237 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.501 ' O ' ' N ' ' A' ' 80' ' ' LEU . 23.4 p -56.08 -70.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.454 ' ND2' ' HB3' ' A' ' 74' ' ' LEU . 94.5 m-20 -37.33 -28.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.931 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.491 ' N ' ' O ' ' A' ' 77' ' ' SER . 6.2 t -83.76 -42.81 16.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.811 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.525 HD21 HG23 ' A' ' 94' ' ' VAL . 58.5 mt -74.36 -12.63 60.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.975 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -96.38 -27.68 14.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -83.99 -49.21 9.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.921 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -100.22 178.48 4.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.795 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.611 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -120.3 166.09 13.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.055 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.512 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 17.0 mtmt -52.2 -29.66 23.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.1 -41.65 98.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 44.9 p -69.64 174.2 5.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.511 ' O ' ' N ' ' A' ' 90' ' ' TYR . 4.1 mt -85.56 -62.14 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.493 ' N ' HG22 ' A' ' 88' ' ' ILE . 0.7 OUTLIER -38.46 -26.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.611 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 7.5 t80 -70.12 -60.96 1.97 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 56.2 mtp85 -56.29 -40.04 73.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.41 -44.02 96.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.136 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.28 -39.8 93.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.071 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.525 HG23 HD21 ' A' ' 80' ' ' LEU . 24.4 t -56.31 -54.9 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.085 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.475 ' HE ' ' NE2' ' A' ' 99' ' ' GLN . 12.1 ttt-85 -56.53 -48.77 76.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.582 HD23 ' HB2' ' A' ' 22' ' ' LYS . 41.8 mt -45.04 -51.76 9.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.513 ' HB2' HG11 ' A' ' 76' ' ' VAL . 23.4 ttt180 -62.99 -39.24 94.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -60.37 -66.32 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.475 ' NE2' ' HE ' ' A' ' 95' ' ' ARG . 32.5 mt-30 -66.18 -51.33 58.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -43.03 -35.63 2.4 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.543 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -46.32 -41.17 11.52 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.08 -42.43 89.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 0.0 111.078 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 91.5 t -57.65 -50.58 76.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 52.6 mt -70.6 -22.04 62.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -77.12 -40.23 46.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.803 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -75.74 -21.8 57.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -89.68 -30.28 18.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -58.67 -46.65 86.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -56.06 -33.76 65.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 112' ' ' GLU . 8.3 mt-30 -67.51 -64.2 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -40.56 -25.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 110' ' ' GLN . 14.8 mt-10 -87.26 -43.37 12.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 23.1 pttt -60.46 -23.25 64.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 21.4 mmt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.861 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.555 ' O ' HD12 ' A' ' 10' ' ' ILE . 1.3 m . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.904 0.383 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.39 -50.63 2.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.521 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.548 ' CZ ' HD11 ' A' ' 12' ' ' LEU . 66.8 t80 -53.15 -47.29 68.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.901 0.381 . . . . 0.0 110.916 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.5 mt -50.58 -51.47 47.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.594 HD12 ' H ' ' A' ' 10' ' ' ILE . 4.7 mp -53.94 -48.36 63.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.7 tp -53.61 -36.72 62.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.548 HD11 ' CZ ' ' A' ' 8' ' ' PHE . 9.9 mp -74.48 -44.78 49.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.405 ' HG2' HD21 ' A' ' 57' ' ' LEU . 80.3 mtt180 -61.08 -46.43 90.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -35.63 74.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.3 m -68.64 -45.41 71.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.437 HD13 ' SD ' ' A' ' 53' ' ' MET . 22.2 tp -53.2 -37.44 61.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.968 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -70.05 -47.57 61.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -48.57 -39.68 24.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.852 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.7 mt -65.85 -50.91 62.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -45.85 -43.73 13.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -42.22 -45.36 4.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.425 ' HB2' HD23 ' A' ' 96' ' ' LEU . 72.3 mmtt -59.98 -40.63 89.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -74.32 103.58 4.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.9 p -90.33 -34.14 15.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.89 -15.08 81.27 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.489 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 m120 58.68 35.09 24.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.789 0.328 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 88.0 mt -68.66 -38.87 79.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -92.69 -10.43 37.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 t -56.69 -13.94 2.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.846 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -141.6 152.27 62.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.657 0.742 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 137.08 34.47 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.641 2.227 . . . . 0.0 112.365 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 72.8 t -63.49 123.77 82.18 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.66 0.743 . . . . 0.0 111.113 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 136.16 32.1 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.663 2.242 . . . . 0.0 112.369 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 41.3 mt -72.97 -28.36 62.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.3 t -45.54 -43.08 11.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.83 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -90.34 -31.81 16.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.6 t -114.92 86.42 13.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.657 0.741 . . . . 0.0 111.099 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -19.93 35.28 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.344 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -116.04 32.95 5.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -60.21 -59.41 5.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.968 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 25.0 mt -64.99 -32.1 73.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -45.7 -39.24 7.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -99.91 -32.04 11.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.0 mm -101.75 120.15 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.164 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.56 -41.15 24.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -128.71 86.5 57.4 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.516 0.674 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 110.04 2.45 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.64 2.227 . . . . 0.0 112.339 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 47.3 tpp -113.34 155.51 25.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -160.06 176.82 11.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -63.88 -39.76 94.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -72.66 -51.62 18.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.6 m -56.73 -57.34 12.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.437 ' SD ' HD13 ' A' ' 16' ' ' LEU . 19.4 ptm -48.31 -43.37 33.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.406 ' C ' ' CD ' ' A' ' 54' ' ' LYS . 1.0 OUTLIER -55.72 -60.09 3.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.887 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 45.9 mm-40 -40.67 -44.84 2.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -69.39 -40.53 77.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.614 HD23 ' N ' ' A' ' 58' ' ' GLU . 2.7 tt -61.98 -51.75 66.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.614 ' N ' HD23 ' A' ' 57' ' ' LEU . 3.3 pt-20 -67.17 -18.95 65.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.71 7.68 29.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.13 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 62.42 46.34 5.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.4 mtt-85 -100.66 -25.48 14.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.481 ' CZ ' ' OD2' ' A' ' 71' ' ' ASP . 22.7 m-85 -102.89 101.39 11.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.449 ' C ' ' CE2' ' A' ' 8' ' ' PHE . 6.9 mt -101.65 -24.58 14.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -118.91 135.7 54.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 66' ' ' ASP . 12.2 t80 -43.11 -57.89 2.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 65' ' ' PHE . 5.7 m-20 -35.16 -44.77 0.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -64.6 -53.76 42.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.414 ' CG ' ' HG ' ' A' ' 12' ' ' LEU . 84.6 t80 -56.3 -34.88 66.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -72.3 -47.58 48.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -44.59 -55.76 4.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.481 ' OD2' ' CZ ' ' A' ' 62' ' ' TYR . 2.5 m-20 -47.62 -58.32 4.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -48.31 -53.24 18.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -44.55 -52.71 7.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 63.6 mt -52.6 -50.75 62.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.0 mt -41.32 -35.47 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.702 HG11 ' HB2' ' A' ' 97' ' ' ARG . 48.5 t -91.19 -47.57 14.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 80' ' ' LEU . 4.8 t -55.07 -70.3 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -40.01 -34.83 0.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 7.3 t -78.88 -35.98 42.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.678 HD12 HG12 ' A' ' 76' ' ' VAL . 78.6 mt -82.44 -8.05 59.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.83 -31.78 9.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -75.96 -52.95 9.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.484 ' HB3' HG21 ' A' ' 87' ' ' THR . 41.3 m-80 -107.51 -177.95 3.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.473 ' HA ' ' CE2' ' A' ' 90' ' ' TYR . . . -122.76 161.88 23.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.073 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.478 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 78.2 mttt -39.85 -30.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -55.62 -46.61 77.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.484 HG21 ' HB3' ' A' ' 83' ' ' ASN . 80.2 p -67.27 170.35 7.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.16 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.512 HG22 ' N ' ' A' ' 89' ' ' PHE . 4.9 mt -82.24 -64.03 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.131 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.512 ' N ' HG22 ' A' ' 88' ' ' ILE . 0.7 OUTLIER -38.6 -26.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.664 ' CE1' ' CD2' ' A' ' 80' ' ' LEU . 4.6 t80 -71.08 -64.08 0.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 60.2 mtt-85 -52.66 -37.37 58.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.33 -40.93 96.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.603 ' HB1' HG13 ' A' ' 76' ' ' VAL . . . -68.13 -39.64 82.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.491 HG23 HD21 ' A' ' 80' ' ' LEU . 15.0 t -52.47 -49.56 42.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -58.99 -54.47 46.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.425 HD23 ' HB2' ' A' ' 22' ' ' LYS . 76.2 mt -48.71 -42.08 33.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.702 ' HB2' HG11 ' A' ' 76' ' ' VAL . 55.2 ttt85 -66.25 -35.7 81.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -75.91 -66.19 0.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -62.55 -53.05 60.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -44.29 -40.21 5.89 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -43.49 -35.61 2.93 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.413 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.67 -35.01 78.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.843 0.354 . . . . 0.0 111.064 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 59.8 t -71.04 -36.33 62.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.071 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 89.8 mt -80.51 -26.78 37.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.812 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.8 mtp85 -78.28 -38.47 42.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.845 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -75.8 -22.7 56.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -89.36 -36.21 15.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.07 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -51.24 -45.86 62.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -57.68 -34.45 69.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -67.45 -55.08 15.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -52.77 -17.62 1.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -97.06 -39.82 9.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 10.2 pttp -61.26 -21.06 63.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.938 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 11.6 mmt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 179.836 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.558 ' O ' HD12 ' A' ' 10' ' ' ILE . 13.4 p . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.93 0.395 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.491 ' HA2' HD13 ' A' ' 10' ' ' ILE . . . -39.75 -43.46 2.34 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.482 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.46 ' CZ ' HD11 ' A' ' 12' ' ' LEU . 46.9 t80 -61.54 -43.28 99.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.889 0.376 . . . . 0.0 110.858 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 76.4 mt -53.29 -41.95 66.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.578 HD12 ' H ' ' A' ' 10' ' ' ILE . 4.7 mp -62.22 -43.57 98.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.511 ' CD2' ' HB2' ' A' ' 111' ' ' ALA . 44.4 tp -52.83 -39.02 62.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.46 HD11 ' CZ ' ' A' ' 8' ' ' PHE . 8.1 mp -70.36 -50.75 35.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.537 ' HG2' HD21 ' A' ' 57' ' ' LEU . 81.4 mtt180 -51.82 -42.21 62.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.42 ' C ' ' HD2' ' A' ' 14' ' ' LYS . 1.0 OUTLIER -71.13 -40.39 71.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 53.0 m -62.84 -54.01 45.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.108 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.6 tp -45.57 -46.81 14.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -60.09 -41.24 92.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -61.23 -40.02 92.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.707 HD22 ' CE1' ' A' ' 72' ' ' PHE . 44.2 mt -66.39 -45.92 78.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 23' ' ' ASP . 6.4 mm-40 -54.56 -46.86 73.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 20' ' ' GLN . 17.6 mt-10 -37.27 -48.09 0.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt -54.35 -43.25 71.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 53.1 t0 -58.67 114.6 2.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.3 p -104.39 -42.43 5.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.99 11.32 48.88 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.466 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.477 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 8.7 p-10 40.1 33.42 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 110.916 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 80.1 mt -72.87 -37.78 55.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.166 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -99.56 -17.25 17.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 t -55.11 -17.37 3.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -131.1 152.44 80.65 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.668 0.746 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 137.69 36.0 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.674 2.249 . . . . 0.0 112.304 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.7 t -59.19 114.61 9.6 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.687 0.756 . . . . 0.0 111.143 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 119.85 6.73 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.744 2.296 . . . . 0.0 112.311 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.36 -31.7 71.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.9 t -43.15 -39.93 3.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -94.71 -31.61 13.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.447 ' CG1' ' OH ' ' A' ' 82' ' ' TYR . 2.1 t -112.25 86.87 8.4 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.617 0.722 . . . . 0.0 111.065 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -18.47 36.96 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.638 2.226 . . . . 0.0 112.38 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -119.43 34.93 5.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -57.85 -55.81 30.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.466 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 26.8 mt -69.41 -42.37 75.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.96 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 41' ' ' LEU . 3.8 m-20 -34.41 -39.82 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -99.63 -32.6 11.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.8 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.0 mm -103.73 122.55 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.2 -49.16 10.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.576 ' HD2' HD13 ' A' ' 74' ' ' LEU . 0.8 OUTLIER -115.2 86.73 14.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.614 0.721 . . . . 0.0 110.818 179.862 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.466 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 54.3 Cg_endo -69.78 143.79 51.85 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.75 2.3 . . . . 0.0 112.326 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.411 ' CE ' ' HE3' ' A' ' 46' ' ' LYS . 34.3 tpp -148.29 164.17 34.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -164.36 172.12 13.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -67.93 -25.12 65.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.478 ' C ' ' CD1' ' A' ' 51' ' ' PHE . 1.4 t80 -90.85 -35.3 14.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 42.6 m -61.86 -53.9 49.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.176 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 8.0 ptm -55.43 -42.75 74.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.01 -50.22 58.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -53.33 -54.76 31.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.973 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -56.82 -45.33 82.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.537 HD21 ' HG2' ' A' ' 13' ' ' ARG . 3.4 tt -57.22 -44.22 83.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.411 ' N ' HD23 ' A' ' 57' ' ' LEU . 13.8 mm-40 -68.06 -17.89 64.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.46 15.42 23.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.155 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 56.51 44.16 24.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -91.82 -27.71 17.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.514 ' CE1' ' OD2' ' A' ' 71' ' ' ASP . 27.1 m-85 -101.71 97.96 8.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.998 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.7 mt -97.02 -27.66 14.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -115.15 128.66 56.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.411 ' CE2' ' HD3' ' A' ' 108' ' ' ARG . 64.0 t80 -38.97 -53.74 1.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 65' ' ' PHE . 9.4 t70 -37.84 -48.5 1.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -59.65 -55.69 31.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.805 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.46 ' CD2' ' HG ' ' A' ' 12' ' ' LEU . 19.9 t80 -55.4 -24.44 30.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -83.35 -44.63 14.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -47.1 -52.86 14.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.514 ' OD2' ' CE1' ' A' ' 62' ' ' TYR . 19.0 m-20 -49.01 -63.08 1.2 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.707 ' CE1' HD22 ' A' ' 19' ' ' LEU . 57.5 t80 -42.54 -46.69 4.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -53.99 -43.13 69.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.849 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.576 HD13 ' HD2' ' A' ' 46' ' ' LYS . 50.4 mt -63.17 -44.89 94.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.408 HD12 ' HA ' ' A' ' 72' ' ' PHE . 98.9 mt -48.56 -33.8 5.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.654 HG11 ' HB2' ' A' ' 97' ' ' ARG . 93.6 t -89.62 -43.19 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.13 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 79' ' ' CYS . 1.2 t -62.31 -70.43 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.795 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.437 ' ND2' ' HB3' ' A' ' 74' ' ' LEU . 89.7 m-20 -36.18 -32.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 77' ' ' SER . 3.6 t -80.57 -47.48 14.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.597 HD12 HG12 ' A' ' 76' ' ' VAL . 42.4 mt -63.7 -20.26 65.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.8 tttt -91.29 -44.32 9.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.447 ' OH ' ' CG1' ' A' ' 37' ' ' VAL . 4.8 t80 -59.43 -63.19 1.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.638 ' HB3' HG21 ' A' ' 87' ' ' THR . 1.1 m-80 -100.41 -178.83 3.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.629 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -122.68 162.05 22.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.056 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.57 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 72.9 mttt -37.48 -37.91 0.22 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -50.26 -48.27 54.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.824 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.638 HG21 ' HB3' ' A' ' 83' ' ' ASN . 44.0 p -66.89 165.5 15.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.109 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.52 HG22 ' N ' ' A' ' 89' ' ' PHE . 1.8 mt -77.1 -62.18 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.52 ' N ' HG22 ' A' ' 88' ' ' ILE . 0.6 OUTLIER -38.53 -26.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.846 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.629 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 3.6 t80 -71.77 -58.34 3.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 31.4 mtt-85 -58.69 -37.68 76.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.77 -36.98 86.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.18 -39.75 75.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 25.5 t -55.2 -35.71 37.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.153 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 5.6 ttp-105 -67.17 -54.4 21.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 96.4 mt -49.23 -47.37 46.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.654 ' HB2' HG11 ' A' ' 76' ' ' VAL . 43.5 ttt180 -62.64 -34.65 77.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -76.01 -67.69 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -63.33 -50.09 71.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 103' ' ' VAL . . . -41.96 -45.54 4.89 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.529 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -37.36 -48.32 1.61 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.443 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.63 -42.59 79.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.777 0.322 . . . . 0.0 111.096 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 100' ' ' GLY . 78.6 t -63.15 -40.0 87.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.11 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 79.6 mt -77.33 -26.53 52.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.6 mtt85 -76.22 -43.11 43.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.844 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -69.85 -26.8 64.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.858 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -90.81 -26.2 19.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.084 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.411 ' HD3' ' CE2' ' A' ' 65' ' ' PHE . 10.0 tpt180 -59.23 -48.76 80.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -56.6 -33.82 66.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -66.25 -55.34 16.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.511 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . . . -55.58 -14.0 1.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.059 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -103.77 -34.74 8.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -66.2 -20.48 66.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 10.1 mmt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.858 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.937 0.398 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -40.11 -51.47 3.5 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.512 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.474 ' O ' HD13 ' A' ' 12' ' ' LEU . 57.5 t80 -53.41 -35.84 60.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.89 0.376 . . . . 0.0 110.79 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.5 mt -61.26 -46.67 89.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.98 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.615 HD12 ' H ' ' A' ' 10' ' ' ILE . 4.3 mp -61.45 -33.84 58.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.06 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.66 -31.09 71.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.698 ' HB3' HD12 ' A' ' 57' ' ' LEU . 10.5 mp -76.14 -54.36 6.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.75 ' HG2' HD21 ' A' ' 57' ' ' LEU . 89.0 mtt180 -50.83 -40.36 55.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.827 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.46 ' HD2' ' N ' ' A' ' 15' ' ' THR . 0.6 OUTLIER -75.2 -45.13 42.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.46 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 27.5 m -60.01 -34.35 73.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.156 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.626 HD23 ' HD3' ' A' ' 54' ' ' LYS . 54.5 tp -62.74 -41.29 99.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -62.78 -46.34 88.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.617 HE22 ' NE2' ' A' ' 106' ' ' GLN . 22.6 mt-30 -54.71 -35.6 63.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.404 ' HG ' HG11 ' A' ' 103' ' ' VAL . 67.4 mt -71.36 -39.62 71.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 21' ' ' GLU . 9.2 mt-30 -55.44 -48.2 74.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 20' ' ' GLN . 12.2 mm-40 -36.33 -49.94 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.44 ' HD2' ' CB ' ' A' ' 99' ' ' GLN . 24.8 mmtm -49.29 -46.37 46.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 59.9 t0 -54.89 118.89 4.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.822 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.4 p -105.6 -48.06 3.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.64 9.09 45.19 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.472 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 4.8 p-10 40.56 33.73 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.832 0.349 . . . . 0.0 110.855 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.694 HG21 ' HD1' ' A' ' 89' ' ' PHE . 74.2 mt -71.57 -37.31 63.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.426 ' O ' ' N ' ' A' ' 30' ' ' GLU . 0.5 OUTLIER -96.02 -23.11 16.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -42.32 -24.19 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.901 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 28' ' ' PHE . 12.0 mt-10 -129.75 151.57 78.35 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.678 0.751 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 134.87 29.01 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.591 2.194 . . . . 0.0 112.364 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 83.4 t -56.76 119.84 32.82 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.635 0.731 . . . . 0.0 111.126 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.65 127.73 15.11 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.669 2.246 . . . . 0.0 112.413 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 69.2 mt -69.23 -31.32 69.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.9 t -44.01 -39.88 4.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -95.82 -28.23 14.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.5 t -115.75 84.55 12.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.595 0.712 . . . . 0.0 111.147 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -18.01 37.23 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.692 2.261 . . . . 0.0 112.328 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -117.34 32.57 6.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.48 ' CE2' ' HB3' ' A' ' 47' ' ' PRO . 22.4 t80 -57.57 -45.37 85.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.442 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 11.0 mt -79.44 -30.42 42.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -40.23 -38.17 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 46.7 m-70 -109.1 -31.15 7.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.438 HG23 ' OD1' ' A' ' 78' ' ' ASN . 19.0 mm -95.02 100.91 11.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -59.89 -46.41 89.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.4 ' HA ' ' HD2' ' A' ' 47' ' ' PRO . 40.1 tttt -132.24 91.91 30.26 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.611 0.719 . . . . 0.0 110.914 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.48 ' HB3' ' CE2' ' A' ' 40' ' ' TYR . 53.4 Cg_endo -69.76 140.05 41.73 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.593 2.195 . . . . 0.0 112.363 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 27.6 tpp -141.27 155.74 45.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -153.23 177.99 10.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.914 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -70.24 -32.93 71.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.449 ' C ' ' CD1' ' A' ' 51' ' ' PHE . 1.1 t80 -87.66 -38.99 15.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.5 m -57.82 -53.42 58.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.19 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 15.5 ptm -55.38 -42.33 73.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.626 ' HD3' HD23 ' A' ' 16' ' ' LEU . 8.6 tptm -53.86 -48.84 69.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -51.45 -48.39 62.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -65.98 -37.89 87.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.75 HD21 ' HG2' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -61.43 -43.74 98.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.692 ' N ' HD23 ' A' ' 57' ' ' LEU . 36.6 mt-10 -72.18 -12.98 61.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.09 12.5 30.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.064 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 59.64 41.42 18.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.979 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.6 mtt85 -91.92 -32.46 15.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.412 ' CZ ' ' OD2' ' A' ' 71' ' ' ASP . 23.5 m-85 -100.33 102.82 14.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.964 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.7 mt -99.24 -27.16 13.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -117.59 145.57 44.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -52.87 -53.88 42.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -38.67 -36.49 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -73.71 -55.46 6.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.478 ' CG ' ' HG ' ' A' ' 12' ' ' LEU . 83.1 t80 -53.14 -31.71 43.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -79.24 -43.55 23.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.835 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -46.55 -43.23 16.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.412 ' OD2' ' CZ ' ' A' ' 62' ' ' TYR . 4.0 m-20 -61.1 -60.35 3.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -43.73 -42.45 5.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -56.45 -46.48 80.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.462 ' HB3' ' ND2' ' A' ' 78' ' ' ASN . 34.4 mt -52.23 -58.33 6.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.426 ' C ' ' O ' ' A' ' 74' ' ' LEU . 48.9 mt -35.84 -48.07 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.472 HG11 ' HB2' ' A' ' 97' ' ' ARG . 48.2 t -71.63 -49.14 48.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 80' ' ' LEU . 5.4 t -60.55 -67.8 0.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.462 ' ND2' ' HB3' ' A' ' 74' ' ' LEU . 89.7 m-20 -38.11 -35.69 0.17 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.5 t -78.13 -40.47 37.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.918 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 77' ' ' SER . 85.6 mt -72.34 -12.05 60.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -100.57 -40.86 7.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -73.77 -41.16 62.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.484 ' ND2' ' HB2' ' A' ' 89' ' ' PHE . 69.7 m-80 -94.0 -174.49 3.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.933 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -121.47 -174.98 2.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.073 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.526 ' HD3' ' CZ ' ' A' ' 90' ' ' TYR . 8.3 mmtp -75.51 -20.66 58.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -102.99 45.84 0.94 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 20.7 p -135.59 164.46 27.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.193 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 90' ' ' TYR . 8.9 mt -76.49 -66.39 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.178 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.694 ' HD1' HG21 ' A' ' 27' ' ' ILE . 5.6 m-85 -38.29 -26.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.526 ' CZ ' ' HD3' ' A' ' 85' ' ' LYS . 2.7 t80 -72.5 -55.88 6.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 -60.0 -36.7 77.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.33 -37.73 88.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.14 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.06 -37.94 64.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.1 t -54.59 -49.22 68.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.151 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -60.46 -40.83 92.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.415 HD23 ' HB2' ' A' ' 22' ' ' LYS . 20.3 mt -57.94 -44.72 87.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.472 ' HB2' HG11 ' A' ' 76' ' ' VAL . 59.1 ttt-85 -65.79 -39.69 91.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -68.44 -63.69 1.01 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.44 ' CB ' ' HD2' ' A' ' 22' ' ' LYS . 48.0 mt-30 -66.09 -50.6 63.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -39.05 -43.32 1.79 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.458 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -43.24 -41.34 4.94 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.477 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.6 -42.34 98.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.839 0.352 . . . . 0.0 111.121 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.404 HG11 ' HG ' ' A' ' 19' ' ' LEU . 96.1 t -67.11 -41.27 86.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 56.7 mt -73.49 -35.51 65.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.5 mtt85 -69.89 -46.52 65.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.617 ' NE2' HE22 ' A' ' 18' ' ' GLN . 14.0 pt20 -62.28 -30.97 71.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -85.97 -27.49 24.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -58.14 -51.3 70.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -50.99 -33.42 24.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -70.93 -51.62 24.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.24 -13.99 6.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.12 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -100.52 -44.15 5.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.9 pttp -55.39 -24.07 27.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 8.5 mmt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.87 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 9' ' ' LEU . 13.1 m . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.94 0.4 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -34.37 -51.43 0.73 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.531 ' CE2' ' O ' ' A' ' 63' ' ' LEU . 53.3 t80 -54.6 -42.76 71.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.92 0.39 . . . . 0.0 110.875 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 6' ' ' SER . 24.6 mt -54.85 -50.42 68.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.941 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.458 HD12 ' H ' ' A' ' 10' ' ' ILE . 3.5 mp -52.95 -42.53 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.454 HD23 ' HB2' ' A' ' 111' ' ' ALA . 43.1 tp -54.97 -38.46 67.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.65 ' HB3' HD12 ' A' ' 57' ' ' LEU . 10.0 mp -70.91 -44.51 66.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.628 ' HG2' HD21 ' A' ' 57' ' ' LEU . 61.6 mtt-85 -61.37 -48.29 81.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -36.05 73.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.4 m -69.43 -39.12 78.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.563 HD23 ' HD3' ' A' ' 54' ' ' LYS . 27.3 tp -55.17 -39.8 69.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -68.46 -49.56 58.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.434 ' HB2' HG11 ' A' ' 103' ' ' VAL . 31.7 mt-30 -44.16 -42.04 6.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.593 HD13 ' CD2' ' A' ' 72' ' ' PHE . 38.5 mt -65.23 -50.21 66.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -45.15 -40.36 7.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -48.09 -44.82 32.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.52 ' HB2' HD23 ' A' ' 96' ' ' LEU . 26.3 mmtm -60.38 -37.93 82.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.426 ' HB2' HD21 ' A' ' 96' ' ' LEU . 43.8 t0 -73.28 79.28 1.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 65.2 p -64.39 -38.18 90.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.08 -9.01 87.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.469 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.5 p30 45.49 34.16 1.54 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.771 0.319 . . . . 0.0 110.848 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.49 HG21 ' HD1' ' A' ' 89' ' ' PHE . 80.1 mt -70.23 -36.61 68.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.084 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -94.7 -5.25 45.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -58.77 -12.85 4.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -138.23 152.26 71.26 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.609 0.718 . . . . 0.0 110.919 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 135.15 29.78 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.643 2.229 . . . . 0.0 112.325 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 81.0 t -61.44 123.88 78.39 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.625 0.726 . . . . 0.0 111.094 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 136.11 31.96 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.646 2.23 . . . . 0.0 112.327 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.3 mt -70.94 -27.73 63.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.5 t -45.13 -45.49 11.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.805 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -89.42 -31.47 17.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.4 t -114.5 86.23 12.16 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.601 0.715 . . . . 0.0 111.145 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -19.26 36.52 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.715 2.277 . . . . 0.0 112.319 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.1 33.51 5.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.511 ' CE2' ' HB3' ' A' ' 47' ' ' PRO . 33.1 t80 -60.12 -57.26 13.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.447 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 24.0 mt -65.16 -41.04 95.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.004 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -39.57 -43.81 1.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.818 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -97.24 -37.64 10.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.7 mm -96.62 99.89 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.5 mmtt -60.56 -52.64 64.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.436 ' HE2' ' CD1' ' A' ' 74' ' ' LEU . 44.1 tttt -117.81 87.88 28.68 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.618 0.723 . . . . 0.0 110.87 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.511 ' HB3' ' CE2' ' A' ' 40' ' ' TYR . 53.5 Cg_endo -69.84 101.53 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.693 2.262 . . . . 0.0 112.264 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 43.5 tpp -98.24 154.88 17.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -154.9 164.77 38.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -59.45 -36.27 75.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.829 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -85.49 -36.76 20.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 62.4 m -62.67 -43.86 97.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.508 ' SD ' HD13 ' A' ' 16' ' ' LEU . 18.0 ptm -62.58 -39.56 94.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.563 ' HD3' HD23 ' A' ' 16' ' ' LEU . 14.3 tptp -59.52 -46.17 89.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.939 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -53.51 -50.53 65.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -62.86 -35.75 81.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.65 HD12 ' HB3' ' A' ' 12' ' ' LEU . 0.4 OUTLIER -65.49 -45.16 84.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.949 179.891 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.621 ' N ' HD23 ' A' ' 57' ' ' LEU . 14.4 mt-10 -66.78 -13.87 61.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.69 8.81 44.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.083 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 62.28 44.16 7.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.845 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.5 mtt-85 -94.88 -24.77 16.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -105.66 103.68 13.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.963 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.531 ' O ' ' CE2' ' A' ' 8' ' ' PHE . 8.2 mt -101.08 -28.28 12.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -115.2 147.03 40.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -55.18 -50.65 68.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -43.24 -35.47 1.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -72.99 -57.82 3.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.495 ' CG ' ' HG ' ' A' ' 12' ' ' LEU . 64.1 t80 -53.01 -34.52 56.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -73.1 -50.5 22.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -40.66 -51.14 3.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.96 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.22 -59.53 4.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.593 ' CD2' HD13 ' A' ' 19' ' ' LEU . 34.8 t80 -46.08 -45.05 16.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -54.49 -46.15 73.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.964 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.436 ' CD1' ' HE2' ' A' ' 46' ' ' LYS . 29.4 mt -54.37 -59.7 4.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.838 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 74' ' ' LEU . 66.7 mt -36.12 -35.23 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.16 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.574 HG12 HD12 ' A' ' 80' ' ' LEU . 70.2 t -86.59 -48.28 15.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 80' ' ' LEU . 1.7 t -61.92 -66.54 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.808 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 77' ' ' SER . 95.2 m-20 -37.6 -32.91 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.403 ' N ' ' O ' ' A' ' 77' ' ' SER . 11.9 t -80.83 -42.59 21.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.574 HD12 HG12 ' A' ' 76' ' ' VAL . 19.0 mt -74.34 -10.13 59.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.4 ptmm? -101.14 -25.28 14.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.863 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -84.3 -50.28 7.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -109.33 -175.0 2.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.508 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -127.0 159.26 34.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.076 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.56 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 20.7 mttp -35.87 -35.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 84' ' ' ALA . 8.3 t70 -49.59 -49.28 47.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 82.3 p -67.15 172.69 4.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.16 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.514 ' O ' ' N ' ' A' ' 90' ' ' TYR . 7.4 mt -84.17 -64.34 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.21 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.49 ' HD1' HG21 ' A' ' 27' ' ' ILE . 0.7 OUTLIER -37.92 -26.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.56 ' CD1' ' HA ' ' A' ' 85' ' ' LYS . 3.2 t80 -70.48 -56.44 6.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.6 mtp85 -58.02 -48.13 81.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.86 -44.78 70.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.136 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.403 ' HB1' HG13 ' A' ' 76' ' ' VAL . . . -59.61 -41.4 90.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.9 t -56.02 -46.69 80.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.169 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -61.96 -51.58 67.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.52 HD23 ' HB2' ' A' ' 22' ' ' LYS . 13.9 mt -50.74 -43.23 58.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.453 ' HB2' HG11 ' A' ' 76' ' ' VAL . 46.1 ttt85 -63.27 -38.83 92.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -72.0 -60.16 2.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -64.71 -57.14 9.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -44.08 -34.27 3.08 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.454 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -48.62 -38.49 21.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.509 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.45 -37.31 84.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.33 . . . . 0.0 111.062 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.47 ' HB ' HD23 ' A' ' 19' ' ' LEU . 57.6 t -69.1 -36.51 73.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 82.5 mt -82.08 -25.74 34.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.955 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 -79.53 -32.56 42.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.418 ' HA ' ' NE ' ' A' ' 109' ' ' ARG . 7.7 pt20 -82.32 -22.43 35.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -92.76 -22.76 19.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 44.1 ttt-85 -59.7 -50.74 72.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.418 ' NE ' ' HA ' ' A' ' 106' ' ' GLN . 15.0 ptp180 -53.7 -33.75 56.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -64.52 -61.26 2.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.454 ' HB2' HD23 ' A' ' 11' ' ' LEU . . . -49.81 -17.99 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.166 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -91.87 -38.67 12.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 15.2 pttm -66.25 -27.51 68.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 11.3 mmt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 179.941 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.877 0.37 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.471 ' HA2' HD13 ' A' ' 10' ' ' ILE . . . -39.56 -47.55 2.97 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.439 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.466 ' CE2' ' O ' ' A' ' 63' ' ' LEU . 75.4 t80 -54.04 -39.9 66.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.932 0.396 . . . . 0.0 110.898 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.495 ' CD1' ' CE2' ' A' ' 60' ' ' TYR . 74.4 mt -57.57 -36.96 72.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.471 HD13 ' HA2' ' A' ' 7' ' ' GLY . 3.6 mp -67.18 -40.71 85.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.558 ' CD2' ' HB2' ' A' ' 111' ' ' ALA . 27.5 tp -53.58 -39.41 64.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.75 ' HB3' HD12 ' A' ' 57' ' ' LEU . 3.0 mp -69.61 -47.19 64.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.794 ' HG2' HD21 ' A' ' 57' ' ' LEU . 13.7 mtp-105 -57.53 -37.93 73.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -77.29 -39.58 47.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.0 m -64.49 -44.24 91.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.661 HD13 ' SD ' ' A' ' 53' ' ' MET . 26.9 tp -53.67 -38.89 64.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -66.34 -43.09 87.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -57.64 -32.9 67.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.938 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.481 HD22 ' CE1' ' A' ' 72' ' ' PHE . 57.0 mt -69.99 -43.35 71.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -56.21 -37.36 69.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.97 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -43.71 -36.68 2.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -75.08 -35.86 61.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -66.88 114.21 5.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.958 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 47.8 p -117.77 -28.27 6.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.0 3.15 86.52 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.509 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 41.87 44.91 3.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.759 0.314 . . . . 0.0 110.881 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.492 HG21 ' CD1' ' A' ' 89' ' ' PHE . 77.0 mt -91.63 -36.15 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -99.31 -18.79 17.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.845 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -50.09 -18.89 0.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -134.11 152.1 77.76 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.703 0.763 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 130.43 19.26 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.712 2.275 . . . . 0.0 112.338 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.9 t -51.41 121.79 18.0 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.617 0.722 . . . . 0.0 111.104 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 137.39 35.39 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.69 2.26 . . . . 0.0 112.314 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 70.5 mt -74.28 -21.98 59.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.1 t -51.78 -43.85 63.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -91.98 -28.04 17.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.4 t -117.53 87.39 25.43 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.657 0.741 . . . . 0.0 111.11 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -25.37 28.29 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.637 2.225 . . . . 0.0 112.303 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -111.56 32.39 5.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.926 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -55.85 -55.51 31.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.956 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.465 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 36.5 mt -69.34 -39.44 78.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.936 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -39.8 -33.75 0.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -106.42 -32.36 8.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.534 HG23 ' OD1' ' A' ' 78' ' ' ASN . 35.9 mm -100.14 116.56 43.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.078 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -75.55 -46.66 30.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.43 ' HG2' HD13 ' A' ' 74' ' ' LEU . 48.3 tttp -124.27 87.23 53.96 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.588 0.708 . . . . 0.0 110.89 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.465 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 53.6 Cg_endo -69.77 114.93 3.87 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.643 2.229 . . . . 0.0 112.424 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.412 ' O ' ' CG ' ' A' ' 49' ' ' ASP . 46.5 tpp -112.95 163.21 14.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.781 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.412 ' CG ' ' O ' ' A' ' 48' ' ' MET . 5.7 m-20 -161.12 172.64 16.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -66.6 -35.09 79.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -84.61 -42.83 15.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.8 m -58.83 -52.32 66.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.661 ' SD ' HD13 ' A' ' 16' ' ' LEU . 21.4 ptm -53.84 -44.96 70.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.439 ' N ' ' HG3' ' A' ' 53' ' ' MET . 12.6 tptm -54.01 -52.56 60.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -47.0 -51.56 16.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -62.87 -34.87 78.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.794 HD21 ' HG2' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -64.7 -42.71 95.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.694 ' N ' HD23 ' A' ' 57' ' ' LEU . 32.7 mt-10 -77.46 -12.6 59.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.01 9.18 36.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.082 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.495 ' CE2' ' CD1' ' A' ' 9' ' ' LEU . 92.3 m-85 62.08 44.16 8.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.8 mtt-85 -99.81 -25.03 14.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.536 ' CZ ' ' OD2' ' A' ' 71' ' ' ASP . 17.2 m-85 -105.27 101.83 11.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.466 ' O ' ' CE2' ' A' ' 8' ' ' PHE . 8.6 mt -99.84 -28.58 13.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -114.68 149.81 36.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.936 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.498 ' CD2' ' HG3' ' A' ' 108' ' ' ARG . 22.4 t80 -56.54 -41.26 76.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -51.76 -36.09 46.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -67.96 -60.93 2.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.493 ' CD2' ' HG ' ' A' ' 12' ' ' LEU . 21.1 t80 -54.07 -36.73 63.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -66.55 -47.21 73.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -49.65 -50.29 43.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.536 ' OD2' ' CZ ' ' A' ' 62' ' ' TYR . 4.2 m-20 -50.3 -64.37 0.83 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.64 ' CD2' HD11 ' A' ' 104' ' ' LEU . 15.2 t80 -45.38 -49.16 13.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -48.51 -49.44 35.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.953 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.43 HD13 ' HG2' ' A' ' 46' ' ' LYS . 41.4 mt -54.01 -52.01 62.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.937 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 75.5 mt -40.14 -37.79 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.643 HG11 ' HB2' ' A' ' 97' ' ' ARG . 60.1 t -87.57 -48.42 15.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.145 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 80' ' ' LEU . 19.0 m -57.01 -68.04 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.534 ' OD1' HG23 ' A' ' 44' ' ' ILE . 76.6 m-20 -34.49 -36.23 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 77' ' ' SER . 35.6 t -77.42 -47.67 19.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 77' ' ' SER . 66.5 mt -69.17 -10.59 58.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.936 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -104.34 -29.46 10.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -85.52 -51.52 6.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -104.59 178.62 4.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.64 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -117.83 -178.77 3.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.404 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 78.4 mttt -63.01 -23.36 67.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -63.15 -39.0 93.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 80.6 p -73.73 164.7 26.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.16 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 90' ' ' TYR . 4.5 mt -78.01 -63.37 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.11 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.505 ' N ' HG22 ' A' ' 88' ' ' ILE . 0.7 OUTLIER -38.29 -26.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.64 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 3.4 t80 -72.78 -58.63 3.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -59.52 -28.03 66.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.4 -39.09 62.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.112 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.566 ' HB1' HG13 ' A' ' 76' ' ' VAL . . . -68.04 -36.58 80.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.065 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.6 t -54.82 -56.93 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.167 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -51.85 -50.33 61.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 100' ' ' GLY . 29.1 mt -50.87 -50.66 56.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.643 ' HB2' HG11 ' A' ' 76' ' ' VAL . 78.6 ttt-85 -56.65 -37.61 71.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -72.7 -63.66 1.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -67.27 -55.44 13.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.906 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -44.55 -34.75 3.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.509 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -50.97 -42.0 46.52 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.37 -26.03 64.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.786 0.327 . . . . 0.0 111.084 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 71.0 t -77.13 -43.59 31.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.147 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.64 HD11 ' CD2' ' A' ' 72' ' ' PHE . 50.2 mt -73.1 -34.02 65.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 66.0 mtt180 -73.86 -34.64 64.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -80.52 -18.41 48.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -92.08 -29.82 16.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.081 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.498 ' HG3' ' CD2' ' A' ' 65' ' ' PHE . 14.5 ttm180 -55.53 -46.67 77.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -55.97 -33.85 65.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -65.55 -59.4 4.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.558 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . . . -48.09 -20.01 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.089 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -92.09 -45.23 8.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.886 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.2 ptmm? -60.53 -29.43 69.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.431 ' CE ' ' HA ' ' A' ' 8' ' ' PHE . 51.1 mtt . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 9' ' ' LEU . 1.4 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.927 0.394 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -36.09 -48.43 1.1 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.439 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -56.51 -42.13 77.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.853 0.359 . . . . 0.0 110.881 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.546 HD11 ' CE2' ' A' ' 60' ' ' TYR . 17.9 mt -56.74 -38.95 73.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.7 mp -66.56 -36.92 78.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.126 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.468 HD23 ' HB2' ' A' ' 111' ' ' ALA . 62.7 tp -58.3 -34.09 70.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.804 ' HB3' HD12 ' A' ' 57' ' ' LEU . 3.4 mp -76.75 -45.85 27.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.914 ' HG2' HD21 ' A' ' 57' ' ' LEU . 50.9 mtp180 -61.17 -40.2 92.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.11 -35.83 61.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.8 m -69.16 -46.97 66.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.169 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.552 HD23 ' HD3' ' A' ' 54' ' ' LYS . 56.3 tp -46.76 -43.98 18.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -64.3 -57.04 10.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.971 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -41.42 -33.14 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.555 ' HG ' HG11 ' A' ' 103' ' ' VAL . 29.6 mt -75.13 -42.26 56.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -55.49 -45.93 76.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.468 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -40.91 -42.02 1.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.982 0.42 . . . . 0.0 110.922 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -56.79 -44.01 81.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -71.19 112.76 7.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.6 p -97.03 -31.71 12.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.147 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.35 -11.01 82.79 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.542 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 m120 56.24 41.3 29.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.814 0.34 . . . . 0.0 110.862 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 73.2 mt -74.57 -44.56 47.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -93.58 -15.48 25.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -48.63 -20.56 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.806 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -131.86 152.06 79.63 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.603 0.716 . . . . 0.0 110.943 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 135.89 31.66 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.72 2.28 . . . . 0.0 112.369 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 77.7 t -67.2 121.74 79.76 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.69 0.757 . . . . 0.0 111.089 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 129.47 17.56 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.703 2.269 . . . . 0.0 112.261 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 69.8 mt -64.5 -29.58 70.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.0 t -49.91 -38.72 37.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -89.85 -33.32 16.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.6 t -119.75 83.82 29.78 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.639 0.733 . . . . 0.0 111.107 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -18.28 36.78 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.7 2.267 . . . . 0.0 112.276 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -110.53 25.68 11.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.84 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -57.62 -54.61 44.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.411 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 17.6 mt -71.12 -37.61 72.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -38.45 -42.09 0.71 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 32.8 m-70 -99.67 -37.05 9.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.9 mm -91.85 121.44 42.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.202 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 47.2 mmtt -79.03 -43.77 23.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.424 ' HE2' ' CD1' ' A' ' 74' ' ' LEU . 64.8 tttt -133.11 86.99 40.67 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.626 0.727 . . . . 0.0 110.945 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.411 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 53.2 Cg_endo -69.72 148.07 64.51 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.707 2.271 . . . . 0.0 112.298 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 42.7 tpp -147.48 164.1 34.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -157.2 -179.12 7.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -75.62 -26.47 57.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -91.76 -35.48 14.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.81 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.7 m -63.6 -50.7 68.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.172 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.452 ' HE3' ' OD1' ' A' ' 71' ' ' ASP . 11.0 ptm -56.63 -41.28 76.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.552 ' HD3' HD23 ' A' ' 16' ' ' LEU . 13.3 tptm -52.88 -49.89 64.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.932 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -51.01 -52.86 38.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -62.54 -38.57 90.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.914 HD21 ' HG2' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -59.8 -42.72 94.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.653 ' N ' HD23 ' A' ' 57' ' ' LEU . 27.4 mt-10 -76.1 -10.78 59.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.93 13.65 29.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.091 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.546 ' CE2' HD11 ' A' ' 9' ' ' LEU . 37.1 m-85 58.15 38.53 26.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.4 mtt180 -89.83 -24.2 21.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -103.29 93.85 5.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.1 mt -92.32 -25.6 18.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -123.26 137.58 54.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -45.47 -43.97 11.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -43.88 -34.73 1.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -73.97 -60.49 2.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.48 ' CG ' ' HG ' ' A' ' 12' ' ' LEU . 66.7 t80 -52.45 -20.65 3.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.87 -40.63 12.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.837 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -56.99 -55.17 38.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.452 ' OD1' ' HE3' ' A' ' 53' ' ' MET . 0.5 OUTLIER -50.5 -51.17 49.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.515 ' HA ' HD12 ' A' ' 75' ' ' ILE . 5.4 t80 -54.07 -41.55 68.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -60.66 -37.22 80.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.424 ' CD1' ' HE2' ' A' ' 46' ' ' LYS . 30.0 mt -62.4 -45.96 90.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.515 HD12 ' HA ' ' A' ' 72' ' ' PHE . 70.9 mt -46.63 -39.75 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.815 HG13 ' HB1' ' A' ' 93' ' ' ALA . 61.1 t -85.78 -49.06 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 78' ' ' ASN . 7.2 t -55.27 -68.94 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 77' ' ' SER . 92.3 m-20 -35.86 -37.58 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.976 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.5 t -74.69 -47.47 31.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.608 ' CD2' ' CE1' ' A' ' 90' ' ' TYR . 88.3 mt -60.99 -26.11 67.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -88.39 -34.86 17.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -73.8 -64.73 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -94.7 -178.55 4.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.55 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -122.94 159.81 27.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.547 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 19.2 mtmt -42.58 -33.04 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -54.63 -43.32 72.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.824 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 61.4 p -70.49 173.58 6.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.186 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.516 ' O ' ' N ' ' A' ' 90' ' ' TYR . 5.7 mt -83.03 -63.48 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.485 ' N ' HG22 ' A' ' 88' ' ' ILE . 0.7 OUTLIER -38.08 -26.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.907 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.608 ' CE1' ' CD2' ' A' ' 80' ' ' LEU . 3.8 t80 -73.52 -63.47 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -52.02 -41.44 62.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.53 -38.82 88.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.815 ' HB1' HG13 ' A' ' 76' ' ' VAL . . . -68.1 -40.41 82.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.9 t -54.39 -46.23 69.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -62.45 -53.67 51.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 48.7 mt -48.85 -46.61 42.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.571 ' HB2' HG11 ' A' ' 76' ' ' VAL . 46.9 ttt180 -62.45 -38.24 89.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -71.6 -65.44 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -63.9 -53.06 56.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -44.47 -30.48 2.1 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.467 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -49.63 -43.49 37.22 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.465 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.86 -27.27 69.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.343 . . . . 0.0 111.12 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.555 HG11 ' HG ' ' A' ' 19' ' ' LEU . 62.1 t -76.13 -36.9 31.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.503 HD11 ' CD1' ' A' ' 72' ' ' PHE . 68.7 mt -80.41 -29.01 37.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.41 ' HA ' ' NH1' ' A' ' 108' ' ' ARG . 58.9 mtm180 -78.18 -38.22 43.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.829 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.492 ' NE2' ' HB2' ' A' ' 107' ' ' ALA . 4.7 pp0? -72.06 -26.17 62.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.492 ' HB2' ' NE2' ' A' ' 106' ' ' GLN . . . -86.21 -42.16 14.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.41 ' NH1' ' HA ' ' A' ' 105' ' ' ARG . 7.4 ttm105 -47.94 -47.52 32.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.816 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -55.36 -34.25 64.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 112' ' ' GLU . 8.8 mt-30 -65.57 -63.87 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.937 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.468 ' HB2' HD23 ' A' ' 11' ' ' LEU . . . -41.88 -24.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.055 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 110' ' ' GLN . 19.3 mt-10 -86.97 -48.16 8.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 27.6 pttt -56.89 -28.29 61.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 6.9 mmt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.841 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 9' ' ' LEU . 15.9 p . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.868 0.366 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.09 -41.54 1.02 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.445 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.552 ' CZ ' HD11 ' A' ' 12' ' ' LEU . 76.7 t80 -62.25 -41.58 98.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.86 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.604 ' CD1' ' CE2' ' A' ' 60' ' ' TYR . 79.6 mt -57.11 -42.65 81.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.44 HD12 ' H ' ' A' ' 10' ' ' ILE . 4.0 mp -63.16 -35.0 70.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.626 HD23 ' HB2' ' A' ' 111' ' ' ALA . 67.7 tp -62.16 -37.82 86.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.745 ' HB3' HD12 ' A' ' 57' ' ' LEU . 8.7 mp -69.6 -53.93 16.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.721 ' HG2' HD21 ' A' ' 57' ' ' LEU . 61.9 mtt180 -50.93 -40.97 58.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.831 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.422 ' C ' ' HD2' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -72.25 -44.07 63.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.431 HG23 HG12 ' A' ' 103' ' ' VAL . 46.7 m -60.56 -56.67 18.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.517 HD23 ' HD3' ' A' ' 54' ' ' LYS . 58.4 tp -36.86 -45.96 0.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.904 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -57.91 -50.74 72.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.935 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.409 ' NE2' ' HD3' ' A' ' 14' ' ' LYS . 52.2 mt-30 -54.34 -19.8 6.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.9 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.431 HD13 ' CD2' ' A' ' 72' ' ' PHE . 45.8 mt -92.77 -35.68 13.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.5 ' HG2' ' CD1' ' A' ' 50' ' ' PHE . 10.8 mt-30 -69.32 -34.54 74.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -60.07 -40.63 90.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.429 ' HB2' HD23 ' A' ' 96' ' ' LEU . 71.0 mmtt -54.03 -32.19 53.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -81.97 81.39 7.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.83 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.4 p -62.36 -32.77 73.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.18 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.07 -22.73 73.34 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.518 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 m120 62.32 38.86 12.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.875 0.369 . . . . 0.0 110.937 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.47 HG21 ' HD1' ' A' ' 89' ' ' PHE . 59.8 mt -74.97 -42.31 45.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.12 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.415 ' HB2' ' CD2' ' A' ' 50' ' ' PHE . 1.5 m-85 -90.54 -7.44 52.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.946 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -56.35 -13.62 2.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -141.6 150.68 58.16 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.632 0.73 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 141.36 45.26 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 112.377 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.4 t -71.68 124.03 90.31 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.678 0.751 . . . . 0.0 111.146 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 126.35 13.21 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.659 2.239 . . . . 0.0 112.39 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 73.1 mt -59.8 -31.78 70.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.6 t -46.77 -37.15 8.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.843 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -90.87 -34.77 15.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.0 t -118.12 86.59 26.75 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.669 0.747 . . . . 0.0 111.07 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -18.14 37.08 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.611 2.207 . . . . 0.0 112.394 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -114.71 30.61 7.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.42 ' CE2' ' HB3' ' A' ' 47' ' ' PRO . 23.5 t80 -58.68 -51.5 69.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.46 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 30.9 mt -73.76 -39.78 63.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.958 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 41' ' ' LEU . 7.4 t0 -35.09 -40.34 0.12 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -102.18 -28.99 11.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.3 mm -99.11 118.6 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.9 mmtm -77.17 -45.51 26.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.954 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.473 ' O ' HD13 ' A' ' 74' ' ' LEU . 36.4 tttt -132.28 89.36 37.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.525 0.678 . . . . 0.0 110.921 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.46 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 54.2 Cg_endo -69.72 153.3 69.27 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.687 2.258 . . . . 0.0 112.372 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 38.7 tpp -151.01 162.14 41.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.821 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -153.2 177.03 11.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.5 ' CD1' ' HG2' ' A' ' 20' ' ' GLN . 5.3 m-85 -73.27 -35.79 66.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -82.62 -40.05 21.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 56.0 m -58.57 -49.76 76.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 17.2 ptm -59.18 -40.26 85.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.517 ' HD3' HD23 ' A' ' 16' ' ' LEU . 40.1 tptt -55.7 -52.63 63.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.873 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -48.22 -52.87 19.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -59.95 -40.69 89.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.745 HD12 ' HB3' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -58.78 -43.59 90.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.984 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.704 ' N ' HD23 ' A' ' 57' ' ' LEU . 60.6 mt-10 -73.13 -11.64 60.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.96 15.23 24.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.604 ' CE2' ' CD1' ' A' ' 9' ' ' LEU . 79.2 m-85 57.09 44.78 21.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.907 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.7 mtt85 -95.22 -32.87 12.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.818 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.449 ' CZ ' ' OD2' ' A' ' 71' ' ' ASP . 25.1 m-85 -99.13 105.19 17.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.971 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.2 mt -103.08 -25.12 13.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -118.55 137.88 52.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -45.88 -54.08 8.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -39.06 -40.11 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -66.75 -62.97 1.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.443 ' CG ' ' HG ' ' A' ' 12' ' ' LEU . 50.2 t80 -49.98 -32.34 14.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -74.29 -46.79 38.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -46.19 -45.17 16.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.449 ' OD2' ' CZ ' ' A' ' 62' ' ' TYR . 3.0 m-20 -58.18 -61.63 2.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.431 ' CD2' HD13 ' A' ' 19' ' ' LEU . 20.1 t80 -44.65 -38.0 4.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -65.87 -48.25 72.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.473 HD13 ' O ' ' A' ' 46' ' ' LYS . 14.7 mt -47.66 -46.7 29.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.417 HD12 ' HA ' ' A' ' 72' ' ' PHE . 50.2 mt -52.81 -43.16 44.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.517 HG11 ' HB2' ' A' ' 97' ' ' ARG . 84.9 t -74.82 -55.69 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.188 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 78' ' ' ASN . 32.7 p -57.06 -67.74 0.29 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.88 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.453 ' C ' ' O ' ' A' ' 77' ' ' SER . 97.5 m-20 -33.97 -42.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.2 t -69.74 -50.27 45.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.955 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.602 ' CD2' ' CE1' ' A' ' 90' ' ' TYR . 19.7 mt -60.93 -23.45 65.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.942 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -86.41 -33.21 20.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -76.18 -62.68 1.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.635 ' HB3' HG21 ' A' ' 87' ' ' THR . 1.5 m-80 -104.67 -176.63 3.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.61 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -119.29 -175.26 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.102 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.487 ' HD3' ' CE1' ' A' ' 90' ' ' TYR . 21.3 mmtp -58.02 -31.15 66.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -52.75 -55.41 22.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.895 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.635 HG21 ' HB3' ' A' ' 83' ' ' ASN . 77.3 p -56.89 171.38 0.35 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.168 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 90' ' ' TYR . 6.2 mt -85.83 -63.71 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.193 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.473 ' N ' HG22 ' A' ' 88' ' ' ILE . 0.9 OUTLIER -38.4 -26.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.915 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.61 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 4.1 t80 -72.31 -53.34 12.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 9.7 mtt-85 -59.07 -39.47 82.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.17 -42.58 93.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.157 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.1 -41.11 97.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.091 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.7 t -55.71 -44.79 78.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -65.85 -52.88 46.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.782 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.429 HD23 ' HB2' ' A' ' 22' ' ' LYS . 24.9 mt -47.04 -42.21 18.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.821 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.517 ' HB2' HG11 ' A' ' 76' ' ' VAL . 49.2 ttt180 -67.5 -39.41 85.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -67.57 -61.61 1.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -69.53 -52.34 27.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.978 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -46.77 -28.21 3.62 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.405 ' CA ' HH11 ' A' ' 105' ' ' ARG . . . -53.74 -48.77 60.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.42 -29.15 65.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.782 0.325 . . . . 0.0 111.069 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.431 HG12 HG23 ' A' ' 15' ' ' THR . 53.9 t -70.32 -41.23 78.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 88.2 mt -73.1 -46.26 52.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.458 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 3.4 mpt_? -59.17 -44.17 92.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -69.32 -21.85 63.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -91.31 -29.0 17.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.072 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 -58.06 -50.79 72.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -54.43 -33.39 59.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -69.75 -49.84 49.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.962 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.626 ' HB2' HD23 ' A' ' 11' ' ' LEU . . . -60.91 -16.87 46.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -98.09 -42.98 7.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 20.3 pttt -60.66 -20.65 61.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.55 ' HE3' ' HA ' ' A' ' 8' ' ' PHE . 6.0 mtt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.917 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.565 ' O ' HD12 ' A' ' 10' ' ' ILE . 4.5 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.948 0.404 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.514 ' HA2' HD13 ' A' ' 10' ' ' ILE . . . -38.86 -48.42 2.5 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.436 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.625 ' CE2' HD11 ' A' ' 12' ' ' LEU . 77.9 t80 -57.59 -39.05 75.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.884 0.373 . . . . 0.0 110.942 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.731 HD11 ' CE2' ' A' ' 60' ' ' TYR . 17.4 mt -59.63 -49.35 78.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.594 HD12 ' H ' ' A' ' 10' ' ' ILE . 4.5 mp -51.99 -56.41 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.103 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.9 tp -44.16 -52.59 7.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.625 HD11 ' CE2' ' A' ' 8' ' ' PHE . 55.6 mt -54.42 -49.5 69.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 83.1 mtt180 -56.41 -50.11 72.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.82 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.421 ' C ' ' HD2' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -59.69 -42.59 93.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.407 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 98.5 m -63.84 -52.82 58.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.164 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.2 tp -46.05 -38.12 7.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -68.95 -50.66 47.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.489 HE22 ' NE2' ' A' ' 106' ' ' GLN . 23.1 mt-30 -47.99 -46.73 33.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.942 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.9 mt -57.14 -49.06 77.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 23' ' ' ASP . 12.3 mt-30 -44.17 -51.96 7.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 20' ' ' GLN . 5.9 mm-40 -37.95 -46.07 0.94 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.571 ' HB2' HD23 ' A' ' 96' ' ' LEU . 27.9 mmtm -54.14 -44.6 71.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 20' ' ' GLN . 35.5 t0 -72.82 91.69 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 78.1 p -79.17 -20.86 47.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.37 -14.37 57.28 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.462 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 58.01 29.06 17.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 0.0 110.832 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.555 HD13 ' HD1' ' A' ' 89' ' ' PHE . 78.4 mt -66.62 -38.26 81.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.413 ' HB2' ' CD2' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -96.05 -8.83 32.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 t -59.97 -12.72 8.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.838 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -137.99 151.84 70.89 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.623 0.725 . . . . 0.0 110.953 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 137.05 34.39 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.685 2.257 . . . . 0.0 112.359 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.6 t -67.58 124.45 89.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.584 0.707 . . . . 0.0 111.187 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 135.08 29.6 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.668 2.246 . . . . 0.0 112.354 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 58.3 mt -73.5 -28.01 61.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.838 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.7 p -48.22 -40.05 23.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -90.85 -24.81 20.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.4 t -124.12 87.24 53.6 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.594 0.711 . . . . 0.0 111.156 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -19.89 35.53 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.672 2.248 . . . . 0.0 112.336 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -115.49 32.49 6.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -58.51 -57.45 12.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.465 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 17.3 mt -67.05 -36.0 81.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.934 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -43.14 -37.6 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.412 ' HB2' ' CD1' ' A' ' 82' ' ' TYR . 35.7 m-70 -99.94 -36.36 9.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.425 ' CD1' ' HD3' ' A' ' 81' ' ' LYS . 10.8 mm -102.83 107.0 21.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -67.0 -43.14 83.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -122.49 87.19 48.97 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.58 0.705 . . . . 0.0 110.912 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.465 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 53.7 Cg_endo -69.78 113.79 3.49 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.625 2.217 . . . . 0.0 112.354 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.418 ' C ' ' CG ' ' A' ' 49' ' ' ASP . 37.6 tpp -111.79 156.5 21.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.418 ' CG ' ' C ' ' A' ' 48' ' ' MET . 0.8 OUTLIER -162.65 163.32 27.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.806 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.413 ' CD2' ' HB2' ' A' ' 28' ' ' PHE . 11.6 m-85 -58.56 -34.67 71.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -81.74 -39.47 24.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 75.3 m -64.68 -50.54 66.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 19.5 ptm -58.74 -36.44 74.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.65 -52.34 66.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.942 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 -50.23 -50.33 50.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -61.14 -41.34 96.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.465 ' C ' HD23 ' A' ' 57' ' ' LEU . 4.0 tt -59.4 -44.12 92.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.858 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -70.54 -23.17 62.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.37 11.86 13.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.083 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.731 ' CE2' HD11 ' A' ' 9' ' ' LEU . 9.0 m-85 58.29 43.59 19.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.5 mtt-85 -92.01 -25.79 18.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.519 ' CZ ' ' OD2' ' A' ' 71' ' ' ASP . 26.3 m-85 -103.16 104.92 15.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.4 mt -102.47 -26.56 13.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -114.77 139.01 50.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -49.21 -45.74 44.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -51.69 -37.38 50.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -68.39 -42.28 79.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.838 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -67.47 -35.52 79.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -69.73 -49.91 48.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -42.14 -55.66 3.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.519 ' OD2' ' CZ ' ' A' ' 62' ' ' TYR . 13.2 m-20 -43.86 -57.95 3.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -48.35 -56.43 8.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -44.38 -56.5 4.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 74' ' ' LEU . 12.8 mt -41.16 -54.75 2.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 87.8 mt -45.81 -54.39 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.542 HG11 ' HB2' ' A' ' 97' ' ' ARG . 46.5 t -61.87 -54.34 35.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.154 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 80' ' ' LEU . 33.7 p -60.52 -70.18 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 74' ' ' LEU . 84.9 m-20 -38.21 -31.21 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.418 ' N ' ' O ' ' A' ' 77' ' ' SER . 30.0 t -80.09 -41.42 25.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.54 HD22 ' CZ ' ' A' ' 90' ' ' TYR . 70.8 mt -74.84 -18.83 60.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.425 ' HD3' ' CD1' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -89.84 -40.69 12.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.86 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.412 ' CD1' ' HB2' ' A' ' 43' ' ' HIS . 21.1 t80 -72.85 -48.52 36.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.94 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -100.57 174.27 6.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -117.45 160.23 21.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.112 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.527 ' HA ' ' CG ' ' A' ' 90' ' ' TYR . 8.4 mtmm -45.42 -38.06 5.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.44 -40.44 36.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 49.2 p -71.11 175.14 5.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.171 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.511 ' O ' ' N ' ' A' ' 90' ' ' TYR . 3.3 mt -88.94 -61.23 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.555 ' HD1' HD13 ' A' ' 27' ' ' ILE . 0.7 OUTLIER -38.24 -26.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.54 ' CZ ' HD22 ' A' ' 80' ' ' LEU . 4.7 t80 -68.45 -51.41 43.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.94 -47.84 73.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.924 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -51.37 -39.83 57.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.424 ' HB1' HG13 ' A' ' 76' ' ' VAL . . . -67.22 -40.69 86.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.3 t -54.32 -49.91 60.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.148 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -58.69 -47.56 84.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.571 HD23 ' HB2' ' A' ' 22' ' ' LYS . 47.7 mt -53.3 -47.65 69.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.958 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.542 ' HB2' HG11 ' A' ' 76' ' ' VAL . 73.4 ttt180 -62.3 -35.98 80.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.787 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -71.08 -66.25 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.46 ' CB ' ' HD2' ' A' ' 22' ' ' LYS . 49.5 mt-30 -63.34 -52.76 60.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -42.72 -38.45 3.14 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.555 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -44.86 -35.93 4.65 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.504 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.92 -35.65 67.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 0.0 111.084 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.3 t -69.39 -34.8 64.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.146 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 79.9 mt -81.26 -20.79 40.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.7 mtp180 -89.04 -35.14 16.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.518 ' OE1' ' HB2' ' A' ' 107' ' ' ALA . 0.0 OUTLIER -72.37 -29.19 63.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.518 ' HB2' ' OE1' ' A' ' 106' ' ' GLN . . . -87.56 -37.36 16.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 33.3 ttp85 -49.69 -51.91 34.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -48.54 -35.83 14.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.404 ' O ' ' N ' ' A' ' 112' ' ' GLU . 10.1 mt-30 -66.03 -58.64 5.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -42.35 -25.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 110' ' ' GLN . 29.7 mt-10 -91.38 -45.22 8.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 114' ' ' MET . 3.0 ptmm? -57.65 -28.4 63.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.803 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.422 ' C ' ' O ' ' A' ' 113' ' ' LYS . 14.1 mmt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 9' ' ' LEU . 10.1 p . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.965 0.412 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.32 -49.51 2.91 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.441 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.479 ' CE2' ' O ' ' A' ' 63' ' ' LEU . 43.6 t80 -56.51 -35.87 68.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 110.857 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.65 HD11 ' CE2' ' A' ' 60' ' ' TYR . 28.0 mt -63.73 -54.22 38.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.715 HD12 ' H ' ' A' ' 10' ' ' ILE . 3.9 mp -49.68 -54.21 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 19.8 tp -46.21 -31.82 2.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.634 ' HB3' HD11 ' A' ' 57' ' ' LEU . 83.4 mt -79.7 -49.23 12.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -60.03 -31.98 70.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -83.36 -35.51 25.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.449 HG23 HG12 ' A' ' 103' ' ' VAL . 8.4 m -70.44 -42.57 71.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.152 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.793 ' HA ' HD12 ' A' ' 19' ' ' LEU . 22.2 tp -56.5 -32.71 65.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -73.09 -40.5 64.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -58.92 -33.22 70.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.793 HD12 ' HA ' ' A' ' 16' ' ' LEU . 7.9 mt -66.95 -53.01 35.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.513 ' HG2' ' CD1' ' A' ' 50' ' ' PHE . 9.3 mt-30 -48.83 -43.44 38.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -40.97 -37.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.9 mmtt -67.43 -38.4 84.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 20' ' ' GLN . 23.2 t0 -69.91 83.14 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 67.6 p -75.07 -3.48 32.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.421 ' C ' ' CG ' ' A' ' 26' ' ' ASN . . . -107.46 -5.73 34.03 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.421 ' CG ' ' C ' ' A' ' 25' ' ' GLY . 0.7 OUTLIER 46.21 32.23 1.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.826 0.346 . . . . 0.0 110.889 -179.822 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.419 HG21 ' HD1' ' A' ' 89' ' ' PHE . 79.4 mt -72.26 -41.5 66.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.447 ' O ' ' N ' ' A' ' 30' ' ' GLU . 4.0 m-85 -90.4 -24.75 20.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -41.18 -24.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 28' ' ' PHE . 15.9 mt-10 -127.75 152.28 76.74 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.633 0.73 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 133.46 25.68 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.706 2.271 . . . . 0.0 112.334 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.1 t -58.04 121.46 50.97 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.659 0.742 . . . . 0.0 111.087 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 138.66 38.25 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.644 2.229 . . . . 0.0 112.366 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.9 mt -72.26 -26.48 62.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.9 m -51.37 -45.28 62.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -86.6 -29.61 22.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.6 t -122.02 84.8 45.4 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.599 0.714 . . . . 0.0 111.173 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -18.44 37.19 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.683 2.255 . . . . 0.0 112.328 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -114.24 29.71 7.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.841 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -56.67 -56.36 22.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 43' ' ' HIS . 11.2 mt -70.2 -39.17 75.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.403 ' OD1' ' CD2' ' A' ' 43' ' ' HIS . 1.2 t70 -38.63 -27.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 41' ' ' LEU . 42.7 m-70 -114.31 -37.17 4.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.552 HD13 ' HE2' ' A' ' 81' ' ' LYS . 34.0 mm -94.08 120.5 43.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.157 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.4 -48.54 16.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -123.84 86.47 53.33 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.567 0.699 . . . . 0.0 110.945 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.451 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 53.7 Cg_endo -69.76 118.19 5.53 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.7 2.267 . . . . 0.0 112.339 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 32.9 tpp -116.6 162.87 16.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -159.46 177.44 10.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.513 ' CD1' ' HG2' ' A' ' 20' ' ' GLN . 11.2 m-85 -66.26 -47.77 72.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.462 ' CE1' ' NE2' ' A' ' 55' ' ' GLN . 16.0 t80 -71.61 -41.87 68.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 94.7 m -60.55 -51.06 71.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.112 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.561 ' CE ' ' CE1' ' A' ' 68' ' ' PHE . 2.8 ppp? -58.62 -36.74 74.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.652 ' HD3' HD23 ' A' ' 16' ' ' LEU . 19.0 tptt -60.69 -53.68 54.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.853 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.462 ' NE2' ' CE1' ' A' ' 51' ' ' PHE . 32.6 mm-40 -47.74 -53.66 14.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -58.62 -38.79 78.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.634 HD11 ' HB3' ' A' ' 12' ' ' LEU . 7.2 tt -60.35 -59.39 5.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.509 ' N ' HD23 ' A' ' 57' ' ' LEU . 6.3 pt-20 -59.05 -20.57 54.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.65 6.7 16.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.65 ' CE2' HD11 ' A' ' 9' ' ' LEU . 36.2 m-85 61.75 43.56 9.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.953 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.8 mtt-85 -97.37 -22.93 16.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -106.99 98.8 8.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.479 ' O ' ' CE2' ' A' ' 8' ' ' PHE . 7.4 mt -94.49 -28.97 15.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -113.5 138.15 50.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -47.55 -52.17 18.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -40.3 -36.82 0.57 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -69.95 -63.75 1.02 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.561 ' CE1' ' CE ' ' A' ' 53' ' ' MET . 53.7 t80 -47.9 -34.51 9.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -78.1 -25.0 47.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -66.2 -55.57 15.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 72' ' ' PHE . 0.3 OUTLIER -53.79 -48.59 69.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.482 ' N ' ' OD1' ' A' ' 71' ' ' ASP . 8.9 t80 -53.68 -43.72 69.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -53.72 -52.03 61.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 50.0 mt -45.73 -55.32 6.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 78.8 mt -39.74 -31.58 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.61 HG11 ' HB2' ' A' ' 97' ' ' ARG . 91.2 t -93.23 -46.47 13.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 80' ' ' LEU . 1.0 OUTLIER -62.39 -65.75 0.64 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.869 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -39.59 -47.15 1.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 44.2 t -68.37 -31.89 71.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.55 HD12 HG12 ' A' ' 76' ' ' VAL . 65.8 mt -83.2 -14.03 54.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.552 ' HE2' HD13 ' A' ' 44' ' ' ILE . 10.1 pttt -102.22 -14.16 17.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -90.15 -44.5 9.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.458 ' HB2' HG21 ' A' ' 87' ' ' THR . 12.2 p30 -125.56 -179.39 4.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.597 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -116.08 -178.3 3.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.067 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.38 -37.33 36.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.981 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -44.87 -53.28 7.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.458 HG21 ' HB2' ' A' ' 83' ' ' ASN . 72.8 p -62.79 167.99 4.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.504 HG22 ' N ' ' A' ' 89' ' ' PHE . 3.5 mt -83.43 -61.89 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.504 ' N ' HG22 ' A' ' 88' ' ' ILE . 1.3 m-85 -38.37 -26.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.597 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 2.8 t80 -70.75 -56.8 5.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 29.6 mtt180 -61.07 -42.66 98.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.95 -40.63 98.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.059 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.87 95.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.141 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 90' ' ' TYR . 47.5 t -54.53 -37.51 38.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -65.91 -54.78 22.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.833 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 100' ' ' GLY . 28.0 mt -47.98 -48.2 32.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.61 ' HB2' HG11 ' A' ' 76' ' ' VAL . 39.2 ttt180 -60.51 -41.72 94.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -66.95 -62.72 1.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -67.28 -53.91 25.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -39.56 -44.79 2.51 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.485 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -41.57 -48.26 4.84 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.519 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.93 -36.22 65.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.833 0.349 . . . . 0.0 111.064 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.449 HG12 HG23 ' A' ' 15' ' ' THR . 97.9 t -73.92 -44.12 51.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.462 ' HG ' HD21 ' A' ' 19' ' ' LEU . 88.7 mt -75.97 -18.42 59.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 20.9 mtt-85 -88.32 -31.35 18.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.475 ' HA ' ' NE ' ' A' ' 109' ' ' ARG . 11.1 pt20 -84.6 -22.75 29.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -92.07 -24.86 19.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -58.71 -42.79 89.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.475 ' NE ' ' HA ' ' A' ' 106' ' ' GLN . 13.4 ptp180 -61.17 -33.13 72.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -66.86 -54.08 25.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.64 -15.97 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.071 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -100.5 -44.11 5.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.874 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.3 pttp -57.37 -19.95 26.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 3.3 mtt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.887 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.559 ' O ' HD12 ' A' ' 10' ' ' ILE . 2.6 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.873 0.368 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -40.12 -53.95 3.2 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.494 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.616 ' CZ ' HD11 ' A' ' 12' ' ' LEU . 21.5 t80 -50.91 -42.61 59.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.947 0.403 . . . . 0.0 110.905 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.916 HD11 ' CE2' ' A' ' 60' ' ' TYR . 15.2 mt -55.15 -52.04 64.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.675 HD12 ' H ' ' A' ' 10' ' ' ILE . 4.9 mp -56.09 -53.55 37.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 19.9 tp -45.99 -30.76 1.93 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.616 HD11 ' CZ ' ' A' ' 8' ' ' PHE . 30.6 mt -81.35 -49.45 10.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.471 ' CG ' HD21 ' A' ' 57' ' ' LEU . 67.5 mtp180 -58.2 -35.57 71.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.9 -36.31 56.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.8 m -71.66 -38.41 70.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.745 HD23 ' HD3' ' A' ' 54' ' ' LYS . 25.8 tp -57.05 -35.67 69.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.974 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -74.04 -42.75 59.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -51.09 -42.81 60.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.926 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.432 HD21 ' HG ' ' A' ' 104' ' ' LEU . 9.3 mt -60.21 -46.43 89.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.928 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' A' ' 23' ' ' ASP . 10.0 mt-30 -47.82 -43.57 28.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -42.82 -42.69 3.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.1 mmtt -60.33 -35.9 76.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 20' ' ' GLN . 13.7 t70 -85.17 91.38 8.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 79.4 p -74.13 -31.6 62.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.101 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.46 -14.48 82.11 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.491 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 54.11 38.85 29.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.581 HG21 ' CD1' ' A' ' 89' ' ' PHE . 72.9 mt -70.81 -41.21 77.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -92.72 -6.69 48.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -56.57 -13.18 2.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -141.58 152.34 62.99 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.638 0.733 . . . . 0.0 110.87 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 150.46 68.2 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.72 2.28 . . . . 0.0 112.311 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 65.9 t -79.35 124.89 83.98 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.659 0.742 . . . . 0.0 111.091 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 140.22 42.3 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.632 2.222 . . . . 0.0 112.393 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.4 mt -78.54 -29.12 46.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 92.8 p -51.79 -35.72 44.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -92.46 -29.09 16.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.836 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.3 t -122.58 86.83 49.21 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.599 0.714 . . . . 0.0 111.135 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -18.93 36.9 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.65 2.233 . . . . 0.0 112.342 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -115.44 31.96 6.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -59.56 -57.95 10.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.977 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.462 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 13.2 mt -68.66 -32.39 72.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 41' ' ' LEU . 12.2 t0 -37.23 -34.83 0.09 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.802 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -111.31 -32.8 6.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 11.4 mm -90.92 127.41 43.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.44 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 3.7 mptt -86.41 -41.74 14.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.454 ' HE2' ' CD1' ' A' ' 74' ' ' LEU . 44.4 tttt -132.94 87.96 38.63 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.62 0.724 . . . . 0.0 110.911 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.462 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 54.5 Cg_endo -69.73 107.08 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.726 2.284 . . . . 0.0 112.362 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 42.1 tpp -108.53 156.57 19.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -153.68 168.67 25.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -59.56 -36.28 75.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -81.89 -50.62 8.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.1 m -50.79 -54.85 20.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.099 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 27.5 ptm -53.53 -41.88 66.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.807 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.745 ' HD3' HD23 ' A' ' 16' ' ' LEU . 21.3 tptm -58.2 -48.94 78.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.401 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 46.1 mm-40 -49.49 -45.43 46.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -67.08 -33.29 75.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.836 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.521 HD11 ' CB ' ' A' ' 12' ' ' LEU . 6.5 tt -64.36 -52.25 59.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 55' ' ' GLN . 5.1 pt-20 -64.16 -21.33 66.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.422 ' CB ' ' NH1' ' A' ' 61' ' ' ARG . . . -85.63 10.04 14.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.916 ' CE2' HD11 ' A' ' 9' ' ' LEU . 57.1 m-85 59.29 45.41 14.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.422 ' NH1' ' CB ' ' A' ' 59' ' ' ALA . 29.1 mtt85 -96.6 -28.21 14.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -103.05 99.39 9.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.458 ' O ' ' CE2' ' A' ' 8' ' ' PHE . 8.3 mt -95.24 -26.65 15.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.943 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -120.69 137.08 54.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 67' ' ' ASP . 8.5 t80 -44.36 -56.5 4.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 65' ' ' PHE . 3.4 m-20 -34.86 -33.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.871 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 65' ' ' PHE . 10.2 t0 -77.44 -56.68 4.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -53.88 -20.44 5.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -90.9 -30.9 16.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -60.14 -50.39 73.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.471 ' CG ' ' N ' ' A' ' 72' ' ' PHE . 0.3 OUTLIER -56.35 -51.35 68.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.471 ' N ' ' CG ' ' A' ' 71' ' ' ASP . 3.1 t80 -50.95 -47.37 61.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -50.09 -48.31 53.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.454 ' CD1' ' HE2' ' A' ' 46' ' ' LYS . 80.6 mt -55.17 -55.37 32.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.444 HD12 ' HA ' ' A' ' 72' ' ' PHE . 88.7 mt -37.47 -30.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.07 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.595 HG11 ' HB2' ' A' ' 97' ' ' ARG . 98.6 t -94.72 -39.68 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 78' ' ' ASN . 1.4 t -63.28 -67.74 0.4 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.43 ' CG ' ' O ' ' A' ' 74' ' ' LEU . 0.8 OUTLIER -36.67 -44.18 0.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.929 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 11.2 t -66.11 -48.09 72.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.949 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.481 HD21 HG23 ' A' ' 94' ' ' VAL . 82.5 mt -61.4 -23.07 65.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.1 ttmt -85.68 -52.43 5.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.947 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -71.11 -61.57 1.72 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -68.28 -175.83 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.599 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -139.26 160.84 38.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.489 ' HG3' ' CZ ' ' A' ' 90' ' ' TYR . 14.1 mtmm -57.52 -17.72 15.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -76.76 -28.52 55.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.964 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 13.8 p -85.53 175.05 9.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.586 HG22 ' N ' ' A' ' 89' ' ' PHE . 1.7 mt -84.51 -61.96 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.172 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.586 ' N ' HG22 ' A' ' 88' ' ' ILE . 1.5 m-85 -39.25 -25.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.599 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 3.7 t80 -74.63 -57.13 4.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -62.9 -34.33 77.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.8 -37.52 86.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.461 ' HB1' HG13 ' A' ' 76' ' ' VAL . . . -68.48 -38.19 80.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.105 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.481 HG23 HD21 ' A' ' 80' ' ' LEU . 5.0 t -57.77 -43.61 84.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -61.78 -55.49 29.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.817 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 100' ' ' GLY . 76.1 mt -47.38 -47.07 26.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.595 ' HB2' HG11 ' A' ' 76' ' ' VAL . 47.7 ttt85 -59.76 -41.34 90.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -74.4 -66.34 0.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -61.59 -53.93 49.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -46.85 -30.04 4.71 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.5 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -52.19 -36.28 44.21 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.41 -35.45 80.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.787 0.327 . . . . 0.0 111.075 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.2 t -68.49 -45.61 81.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.432 ' HG ' HD21 ' A' ' 19' ' ' LEU . 26.5 mt -70.77 -27.35 63.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 29.8 mtt85 -76.21 -43.11 43.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.818 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -69.21 -28.87 66.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -85.11 -28.45 25.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 40.6 ttt-85 -54.36 -55.64 26.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.48 -32.67 28.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -68.83 -57.81 5.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -51.97 -19.13 1.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -95.73 -45.7 6.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 28.6 pttt -54.93 -18.98 5.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 10.1 mmt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.852 179.896 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 9' ' ' LEU . 5.1 p . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.89 0.376 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.42 -43.51 1.53 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.452 ' CE2' ' O ' ' A' ' 63' ' ' LEU . 38.4 t80 -58.09 -40.93 82.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.896 0.379 . . . . 0.0 110.906 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.466 HD11 ' CE2' ' A' ' 60' ' ' TYR . 47.0 mt -61.03 -35.51 77.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mp -67.99 -47.82 77.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.741 ' CD2' ' HB2' ' A' ' 111' ' ' ALA . 19.7 tp -50.99 -42.24 60.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.487 HD22 ' CG ' ' A' ' 68' ' ' PHE . 45.7 mt -66.17 -54.5 24.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -50.19 -37.05 33.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.433 ' HD3' ' NE2' ' A' ' 18' ' ' GLN . 0.5 OUTLIER -75.78 -36.85 59.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 179.895 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 16' ' ' LEU . 93.1 m -68.31 -59.11 3.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.475 ' CD2' ' HG2' ' A' ' 54' ' ' LYS . 25.1 tp -37.37 -36.51 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.918 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -67.07 -56.13 11.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.843 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.433 ' NE2' ' HD3' ' A' ' 14' ' ' LYS . 73.6 mt-30 -44.63 -43.77 8.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.679 HD22 ' CE2' ' A' ' 72' ' ' PHE . 10.9 mt -63.44 -44.81 93.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -52.15 -41.79 62.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -44.26 -45.11 8.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.447 ' HB2' ' CD2' ' A' ' 96' ' ' LEU . 48.9 mmtt -55.28 -34.73 64.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -76.98 119.1 20.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.5 p -116.9 -29.6 5.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.079 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.25 0.33 88.97 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 51.72 37.51 20.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.795 0.331 . . . . 0.0 110.863 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 81.3 mt -81.26 -42.91 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.579 ' CD2' HD11 ' A' ' 96' ' ' LEU . 1.4 m-85 -96.48 -14.22 22.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -58.11 -13.9 5.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -141.27 152.07 63.24 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.606 0.717 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 157.3 61.0 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.696 2.264 . . . . 0.0 112.361 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.6 t -83.62 125.06 74.56 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.697 0.76 . . . . 0.0 111.162 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 128.13 15.57 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.684 2.256 . . . . 0.0 112.363 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.1 mt -69.11 -37.36 78.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.957 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 79.2 p -48.55 -36.21 14.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -90.6 -29.9 17.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.958 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.5 t -126.67 85.34 60.78 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.718 0.77 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -18.92 36.53 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.669 2.246 . . . . 0.0 112.362 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.465 ' OD2' ' CD2' ' A' ' 43' ' ' HIS . 8.1 t70 -104.86 21.03 17.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -58.0 -64.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.443 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 17.8 mt -60.91 -40.33 92.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.443 ' CG ' ' OD1' ' A' ' 39' ' ' ASP . 0.6 OUTLIER -39.72 -33.14 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.85 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.465 ' CD2' ' OD2' ' A' ' 39' ' ' ASP . 61.7 m-70 -107.17 -36.51 6.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.57 HG23 ' OD1' ' A' ' 78' ' ' ASN . 29.3 mm -98.07 108.92 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -68.17 -46.96 69.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.795 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 42.9 tttp -123.37 87.03 51.89 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.558 0.694 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.443 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 54.0 Cg_endo -69.72 108.3 2.04 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.743 2.296 . . . . 0.0 112.283 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 32.8 tpp -112.38 154.23 26.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -152.1 176.58 11.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.457 ' CD2' ' HB2' ' A' ' 28' ' ' PHE . 6.9 m-85 -67.32 -39.19 85.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -81.9 -33.45 30.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 22.9 m -68.03 -51.96 40.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.406 ' SD ' HD13 ' A' ' 16' ' ' LEU . 2.5 ppp? -60.96 -30.55 70.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.85 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.475 ' HG2' ' CD2' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -63.77 -50.19 70.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.1 mm-40 -49.96 -48.5 52.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.963 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -61.51 -44.37 97.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.474 ' C ' HD23 ' A' ' 57' ' ' LEU . 4.5 tt -56.89 -44.44 82.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -67.36 -22.46 65.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.45 24.0 4.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.06 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.466 ' CE2' HD11 ' A' ' 9' ' ' LEU . 3.2 m-85 48.32 41.4 16.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.934 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 30.9 mtt-85 -86.4 -24.29 25.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.4 ' CE1' ' OD2' ' A' ' 71' ' ' ASP . 23.5 m-85 -108.2 113.35 26.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.452 ' O ' ' CE2' ' A' ' 8' ' ' PHE . 5.3 mt -110.82 -22.68 11.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -117.45 131.44 56.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -44.63 -45.16 9.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -49.15 -38.73 26.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -71.82 -57.76 4.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.83 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.487 ' CG ' HD22 ' A' ' 12' ' ' LEU . 37.7 t80 -49.83 -37.67 31.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.465 ' OE2' HD13 ' A' ' 104' ' ' LEU . 13.1 tt0 -72.51 -50.14 27.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -42.04 -50.94 4.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.834 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.4 ' OD2' ' CE1' ' A' ' 62' ' ' TYR . 7.4 m-20 -50.68 -54.53 22.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.815 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.679 ' CE2' HD22 ' A' ' 19' ' ' LEU . 3.5 t80 -51.38 -55.72 17.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -44.68 -57.33 3.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.4 mt -41.98 -55.47 3.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 95.3 mt -41.15 -38.19 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.098 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.642 HG11 ' HB2' ' A' ' 97' ' ' ARG . 50.7 t -81.0 -49.04 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.416 ' OG ' ' N ' ' A' ' 78' ' ' ASN . 51.8 p -59.67 -64.53 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.57 ' OD1' HG23 ' A' ' 44' ' ' ILE . 62.9 m-20 -38.63 -42.64 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.847 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 11.6 t -66.21 -47.57 73.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.815 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.573 ' HA ' ' CD2' ' A' ' 90' ' ' TYR . 8.1 mt -65.58 -22.9 66.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -80.23 -33.77 37.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -79.93 -66.22 0.9 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -97.02 -178.49 4.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.464 ' HA ' ' CD2' ' A' ' 90' ' ' TYR . . . -128.61 171.49 12.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.031 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.585 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -52.19 -17.79 1.24 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.91 -5.45 21.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 57.8 p -119.42 -177.34 3.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.51 ' O ' ' N ' ' A' ' 90' ' ' TYR . 7.0 mt -88.68 -64.83 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.49 ' N ' HG22 ' A' ' 88' ' ' ILE . 0.9 OUTLIER -38.06 -26.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.585 ' CD1' ' HA ' ' A' ' 85' ' ' LYS . 19.5 t80 -81.57 -49.2 10.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.855 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 88' ' ' ILE . 57.0 mtp180 -64.84 -35.02 79.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.76 -34.4 77.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.587 ' HB1' HG13 ' A' ' 76' ' ' VAL . . . -71.96 -37.24 69.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.055 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 24.5 t -56.82 -36.74 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 37.0 ttt180 -70.67 -43.26 69.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.579 HD11 ' CD2' ' A' ' 28' ' ' PHE . 96.3 mt -57.21 -53.99 51.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.642 ' HB2' HG11 ' A' ' 76' ' ' VAL . 59.3 ttt180 -57.83 -42.21 83.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -65.5 -65.55 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.431 ' O ' ' C ' ' A' ' 100' ' ' GLY . 42.4 mt-30 -63.68 -57.73 9.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 103' ' ' VAL . . . -34.95 -46.11 0.61 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 100' ' ' GLY . . . -36.79 -45.64 1.07 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.539 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.08 -39.45 86.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.79 0.329 . . . . 0.0 111.059 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 100' ' ' GLY . 94.6 t -69.17 -46.25 78.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.465 HD13 ' OE2' ' A' ' 69' ' ' GLU . 79.3 mt -70.03 -25.19 63.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 34.5 mtt85 -82.16 -36.37 27.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.842 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -77.32 -13.92 59.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -96.99 -34.49 11.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.048 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -54.6 -41.81 70.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.833 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -64.63 -32.36 73.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -69.35 -51.88 32.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.741 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . . . -56.63 -19.42 16.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -95.49 -47.23 6.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.1 ptmm? -55.12 -21.31 12.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 8.7 mtt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.926 179.839 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.897 0.379 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.0 -54.9 2.39 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.422 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.805 ' CZ ' HD11 ' A' ' 12' ' ' LEU . 39.5 t80 -49.33 -38.85 29.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.936 0.398 . . . . 0.0 110.894 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.543 ' CD1' ' CE2' ' A' ' 60' ' ' TYR . 22.7 mt -60.23 -47.5 85.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.937 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.491 HD12 ' H ' ' A' ' 10' ' ' ILE . 4.3 mp -61.26 -43.23 96.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.4 tp -54.8 -42.32 71.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.959 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.805 HD11 ' CZ ' ' A' ' 8' ' ' PHE . 75.5 mt -65.04 -56.56 12.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.721 ' CG ' HD21 ' A' ' 57' ' ' LEU . 43.2 mtt180 -47.76 -41.47 23.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.847 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -72.65 -49.43 31.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.955 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.551 HG23 HG12 ' A' ' 103' ' ' VAL . 16.7 m -53.3 -50.61 64.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.521 ' HA ' HD12 ' A' ' 19' ' ' LEU . 9.5 tp -47.71 -43.04 26.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -58.66 -45.89 88.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -53.67 -33.24 54.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 16' ' ' LEU . 38.6 mt -66.67 -46.35 75.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 23' ' ' ASP . 7.3 mt-30 -51.56 -51.49 55.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.965 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' GLN . 19.2 mm-40 -37.56 -47.64 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.426 ' HB2' ' CD2' ' A' ' 96' ' ' LEU . 68.6 mmtt -54.45 -41.81 69.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 20' ' ' GLN . 19.2 t0 -78.75 83.17 4.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.0 p -66.11 -33.78 76.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.196 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.18 -16.29 80.76 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.514 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.7 m120 57.25 38.31 28.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.807 0.337 . . . . 0.0 110.893 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.543 HG21 ' CD1' ' A' ' 89' ' ' PHE . 74.8 mt -71.39 -38.38 68.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.086 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.4 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 4.1 m-85 -92.9 -12.78 30.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -51.92 -17.06 0.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.798 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -138.06 152.05 71.16 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.602 0.715 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 134.69 28.41 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.679 2.253 . . . . 0.0 112.296 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.7 t -57.99 126.17 76.27 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.543 0.687 . . . . 0.0 111.151 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 141.85 46.29 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.615 2.21 . . . . 0.0 112.36 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 73.1 mt -80.76 -26.79 37.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.3 t -47.16 -45.65 22.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.434 ' OE1' HG22 ' A' ' 37' ' ' VAL . 15.2 tm-20 -90.58 -26.61 19.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.894 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.434 HG22 ' OE1' ' A' ' 36' ' ' GLU . 1.8 t -118.24 84.15 21.87 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.57 0.7 . . . . 0.0 111.101 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -19.58 35.92 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.673 2.249 . . . . 0.0 112.374 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -111.89 27.11 9.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -54.48 -58.58 6.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.47 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 27.0 mt -66.15 -41.66 90.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.969 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -38.66 -38.84 0.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 57.2 m-70 -102.34 -31.13 10.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.4 mm -102.1 104.65 16.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -66.45 -43.6 85.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.597 ' HD3' HD11 ' A' ' 74' ' ' LEU . 28.8 tttp -126.81 86.94 57.64 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.519 0.676 . . . . 0.0 110.882 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.47 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 53.8 Cg_endo -69.75 103.98 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.321 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 43.4 tpp -107.97 150.33 27.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.459 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -145.72 -176.11 5.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.901 179.9 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.4 ' CE2' ' HB2' ' A' ' 28' ' ' PHE . 5.3 m-85 -74.24 -32.26 62.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -85.58 -39.68 17.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.6 m -60.84 -47.75 84.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.094 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.481 ' CE ' HD13 ' A' ' 16' ' ' LEU . 21.8 ptm -58.53 -43.23 89.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.915 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.461 ' HD3' ' CD2' ' A' ' 16' ' ' LEU . 28.7 tptt -54.87 -53.04 60.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.915 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -46.88 -48.1 21.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -67.26 -38.66 85.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.721 HD21 ' CG ' ' A' ' 13' ' ' ARG . 1.6 tt -61.67 -45.66 93.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.926 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.501 ' N ' HD23 ' A' ' 57' ' ' LEU . 48.7 mt-10 -66.92 -24.08 66.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.413 ' HB3' ' HG3' ' A' ' 61' ' ' ARG . . . -84.25 12.96 5.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.091 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.543 ' CE2' ' CD1' ' A' ' 9' ' ' LEU . 9.6 m-85 57.39 42.0 25.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.413 ' HG3' ' HB3' ' A' ' 59' ' ' ALA . 43.7 mtt180 -91.71 -26.17 18.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -101.97 104.54 15.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.984 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.6 mt -102.22 -26.89 13.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -117.07 137.37 52.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -45.78 -40.09 9.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.815 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -51.37 -36.63 44.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -71.14 -52.22 20.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.523 ' CG ' HD22 ' A' ' 12' ' ' LEU . 51.8 t80 -59.14 -31.49 69.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.74 ' OE2' HD13 ' A' ' 104' ' ' LEU . 9.3 tp10 -72.81 -51.45 18.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -43.3 -57.11 3.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.73 -62.15 1.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.797 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.511 ' HA ' HD12 ' A' ' 75' ' ' ILE . 6.2 t80 -45.5 -49.67 13.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -50.56 -53.07 33.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.597 HD11 ' HD3' ' A' ' 46' ' ' LYS . 21.9 mt -47.74 -49.87 27.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.511 HD12 ' HA ' ' A' ' 72' ' ' PHE . 95.0 mt -43.05 -39.82 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.073 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.633 HG13 ' HB1' ' A' ' 93' ' ' ALA . 94.6 t -84.43 -51.56 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 78' ' ' ASN . 19.8 m -51.91 -70.41 0.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.772 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 77' ' ' SER . 83.8 m-20 -34.68 -41.18 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 3.5 t -71.41 -48.74 47.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.543 ' CD1' HG12 ' A' ' 76' ' ' VAL . 50.2 mt -66.78 -10.72 50.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -99.32 -32.48 11.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.945 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -76.03 -64.55 1.07 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.669 ' HB3' HG21 ' A' ' 87' ' ' THR . 2.1 m-80 -99.86 -176.21 3.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.901 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.643 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -122.4 -179.44 4.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.095 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.471 ' HG3' ' CE1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -49.25 -37.01 21.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -47.58 -61.97 1.67 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.669 HG21 ' HB3' ' A' ' 83' ' ' ASN . 74.3 p -52.28 173.22 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.1 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 90' ' ' TYR . 5.9 mt -88.53 -63.0 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.543 ' CD1' HG21 ' A' ' 27' ' ' ILE . 0.7 OUTLIER -37.92 -26.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.939 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.643 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 4.9 t80 -69.14 -59.5 2.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 30.5 mtt-85 -59.32 -37.79 78.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.824 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.67 -44.93 95.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.633 ' HB1' HG13 ' A' ' 76' ' ' VAL . . . -64.46 -40.27 95.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 13.5 t -50.45 -49.52 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.433 ' NE ' ' NE2' ' A' ' 99' ' ' GLN . 14.0 ttm180 -61.63 -55.11 34.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.426 ' CD2' ' HB2' ' A' ' 22' ' ' LYS . 30.0 mt -46.05 -48.46 16.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.436 ' HB2' HG11 ' A' ' 76' ' ' VAL . 38.7 ttt85 -59.3 -39.62 83.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.79 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -73.36 -65.23 0.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.433 ' NE2' ' NE ' ' A' ' 95' ' ' ARG . 61.4 mt-30 -63.11 -57.71 9.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -41.81 -37.67 2.12 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.51 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -46.29 -41.94 12.37 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.514 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.52 -31.19 67.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 0.0 111.156 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.551 HG12 HG23 ' A' ' 15' ' ' THR . 98.9 t -72.58 -41.86 63.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.74 HD13 ' OE2' ' A' ' 69' ' ' GLU . 32.4 mt -75.49 -17.77 60.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -86.96 -39.59 15.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -75.95 -22.07 56.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -89.44 -30.66 18.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.074 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -57.17 -44.34 83.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.833 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -54.45 -32.91 58.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' A' ' 112' ' ' GLU . 7.7 mt-30 -70.97 -65.21 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.945 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -39.99 -24.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.061 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 110' ' ' GLN . 12.9 mt-10 -86.04 -41.56 14.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 110' ' ' GLN . 0.0 OUTLIER -71.1 -32.17 68.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.944 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 8.0 mmt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.823 179.86 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 9' ' ' LEU . 1.7 p . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.914 0.388 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -35.83 -45.1 0.77 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.527 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.615 ' CE2' HD11 ' A' ' 12' ' ' LEU . 72.4 t80 -56.54 -42.69 78.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.914 0.387 . . . . 0.0 110.877 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.766 HD11 ' CE2' ' A' ' 60' ' ' TYR . 82.7 mt -53.45 -55.61 23.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.518 HD12 ' H ' ' A' ' 10' ' ' ILE . 3.8 mp -47.85 -47.52 12.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.534 ' CD2' ' HB2' ' A' ' 111' ' ' ALA . 66.9 tp -49.57 -39.58 35.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.615 HD11 ' CE2' ' A' ' 8' ' ' PHE . 24.4 mt -75.94 -39.75 55.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.647 ' HG2' HD21 ' A' ' 57' ' ' LEU . 22.1 mtm180 -66.25 -31.27 71.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -88.47 -31.59 18.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.401 ' N ' ' HG3' ' A' ' 14' ' ' LYS . 16.8 m -72.67 -42.34 64.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.178 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.453 ' HA ' HD12 ' A' ' 19' ' ' LEU . 37.7 tp -55.32 -39.44 69.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.945 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -65.87 -44.17 86.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.493 HE22 ' NE2' ' A' ' 106' ' ' GLN . 30.9 mt-30 -53.84 -41.44 67.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 16' ' ' LEU . 24.9 mt -59.37 -49.08 79.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 23' ' ' ASP . 11.2 mt-30 -46.51 -49.04 19.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -37.96 -44.62 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.55 ' HB2' HD23 ' A' ' 96' ' ' LEU . 25.0 mmtm -59.59 -41.38 90.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 20' ' ' GLN . 33.5 t0 -77.68 98.2 5.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.7 p -85.11 -32.45 22.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.93 -13.24 81.59 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.546 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.4 m120 56.09 42.57 28.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.839 0.352 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.9 mt -75.83 -36.03 31.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -98.33 -10.87 23.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -52.85 -19.57 2.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -130.37 152.53 80.4 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.565 0.697 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -179.11 2.67 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.684 2.256 . . . . 0.0 112.323 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.3 t -116.48 123.56 30.47 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.627 0.727 . . . . 0.0 111.139 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 112.01 2.96 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.647 2.231 . . . . 0.0 112.389 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.7 mt -59.18 -32.71 70.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.96 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.1 m -55.1 -30.95 60.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -93.42 -34.6 13.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.408 ' CG1' ' OH ' ' A' ' 82' ' ' TYR . 1.2 t -120.38 84.83 35.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.56 0.695 . . . . 0.0 111.127 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -34.32 14.82 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.617 2.211 . . . . 0.0 112.309 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -79.0 3.87 16.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -51.5 -64.04 0.94 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 42' ' ' ASP . 24.6 mt -67.12 -40.52 86.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 41' ' ' LEU . 4.7 t70 -37.95 -32.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -111.68 -33.97 6.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.449 HD12 ' HA ' ' A' ' 78' ' ' ASN . 6.8 mm -86.62 124.08 40.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -79.76 -51.19 9.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.007 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.704 ' O ' HD22 ' A' ' 74' ' ' LEU . 11.1 tptm -130.91 91.36 36.95 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.569 0.7 . . . . 0.0 110.903 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 160.74 48.57 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.701 2.268 . . . . 0.0 112.342 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.489 ' HB2' HD12 ' A' ' 74' ' ' LEU . 35.6 tpp -168.85 165.62 11.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.893 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -158.29 169.71 23.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -62.07 -36.48 81.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.45 ' CD2' ' N ' ' A' ' 52' ' ' THR . 2.7 t80 -75.92 -60.51 2.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.828 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.45 ' N ' ' CD2' ' A' ' 51' ' ' PHE . 12.3 m -44.41 -56.64 4.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.466 ' HG3' ' N ' ' A' ' 54' ' ' LYS . 14.1 ptm -50.58 -45.77 57.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.466 ' N ' ' HG3' ' A' ' 53' ' ' MET . 0.2 OUTLIER -51.96 -49.77 62.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -52.8 -49.78 64.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -60.75 -39.58 89.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.647 HD21 ' HG2' ' A' ' 13' ' ' ARG . 5.9 tt -61.62 -45.11 95.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -66.34 -23.37 66.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.405 ' HB3' ' HG3' ' A' ' 61' ' ' ARG . . . -87.86 13.33 10.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.179 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.766 ' CE2' HD11 ' A' ' 9' ' ' LEU . 6.0 m-85 57.31 42.69 24.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.405 ' HG3' ' HB3' ' A' ' 59' ' ' ALA . 59.0 mtt180 -90.8 -25.92 19.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -102.58 109.8 21.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.98 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.6 mt -109.17 -24.16 11.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -120.52 133.8 55.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.438 ' O ' ' C ' ' A' ' 66' ' ' ASP . 7.4 t80 -42.12 -55.71 3.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 65' ' ' PHE . 0.9 OUTLIER -35.46 -47.51 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.858 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.48 -56.4 14.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.507 ' CG ' HD22 ' A' ' 12' ' ' LEU . 67.2 t80 -52.31 -24.44 7.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -88.39 -42.14 12.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -51.23 -46.4 62.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -59.73 -47.85 84.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -60.97 -39.16 88.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -50.9 -50.79 56.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.704 HD22 ' O ' ' A' ' 46' ' ' LYS . 22.0 mt -44.17 -60.88 1.69 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.437 ' C ' ' O ' ' A' ' 74' ' ' LEU . 44.6 mt -33.43 -37.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.699 HG11 ' HB2' ' A' ' 97' ' ' ARG . 47.3 t -89.1 -38.79 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 74' ' ' LEU . 25.9 t -66.94 -73.84 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.474 ' ND2' ' HB3' ' A' ' 74' ' ' LEU . 5.1 p30 -40.17 -41.93 1.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.4 t -68.32 -47.56 67.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.544 HD12 HG12 ' A' ' 76' ' ' VAL . 29.0 mt -62.31 -22.71 66.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -89.87 -61.9 1.59 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.408 ' OH ' ' CG1' ' A' ' 37' ' ' VAL . 2.6 t80 -43.13 -58.52 2.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.847 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.429 ' HB3' HG21 ' A' ' 87' ' ' THR . 5.9 m-80 -107.28 176.0 5.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.586 ' HA ' ' CD2' ' A' ' 90' ' ' TYR . . . -123.07 166.4 15.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.078 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.566 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -38.65 -39.78 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -46.74 -48.03 20.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.429 HG21 ' HB3' ' A' ' 83' ' ' ASN . 51.2 p -70.76 171.02 11.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.507 ' O ' ' N ' ' A' ' 90' ' ' TYR . 1.7 mt -82.67 -60.93 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.155 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.479 ' N ' HG22 ' A' ' 88' ' ' ILE . 0.6 OUTLIER -38.75 -25.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.911 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.586 ' CD2' ' HA ' ' A' ' 84' ' ' ALA . 6.7 t80 -71.14 -58.58 3.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -52.97 -48.3 67.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.21 -40.07 67.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.74 -40.66 92.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 83.1 t -58.92 -41.89 84.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.118 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 18.0 ttp180 -62.93 -58.38 7.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.817 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.55 HD23 ' HB2' ' A' ' 22' ' ' LYS . 39.1 mt -47.0 -50.61 18.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.968 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.699 ' HB2' HG11 ' A' ' 76' ' ' VAL . 21.9 ttt-85 -55.04 -36.08 65.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -78.47 -64.61 1.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -63.48 -54.75 31.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -41.87 -35.83 1.65 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.474 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -47.78 -44.13 23.63 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.462 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.03 -34.5 74.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 0.0 111.081 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.8 t -69.31 -46.1 77.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 54.7 mt -74.69 -17.58 60.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -85.5 -40.27 16.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.493 ' NE2' HE22 ' A' ' 18' ' ' GLN . 10.5 pt20 -73.0 -28.29 62.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -86.6 -31.71 21.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -56.32 -48.79 76.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -54.59 -33.54 60.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -65.04 -63.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.849 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.534 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . . . -43.74 -23.05 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.072 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -91.32 -44.82 8.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -20.29 62.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.512 ' HE3' ' HA ' ' A' ' 8' ' ' PHE . 17.0 mtt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.857 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 9' ' ' LEU . 18.6 p . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.854 0.359 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -35.64 -43.45 0.57 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.512 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.478 ' CZ ' HD11 ' A' ' 12' ' ' LEU . 18.6 t80 -64.21 -45.69 87.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.902 0.382 . . . . 0.0 110.903 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 6' ' ' SER . 82.7 mt -51.38 -40.17 58.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.429 HD12 ' O ' ' A' ' 6' ' ' SER . 4.0 mp -63.82 -44.34 98.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.678 HD23 ' HB2' ' A' ' 111' ' ' ALA . 60.2 tp -50.21 -35.48 26.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.656 ' HB3' HD12 ' A' ' 57' ' ' LEU . 9.8 mp -73.17 -49.63 27.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.969 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.858 ' HG2' HD21 ' A' ' 57' ' ' LEU . 15.6 mtm105 -57.82 -44.08 86.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.25 -35.8 66.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.2 m -69.21 -37.36 78.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.744 HD23 ' HD3' ' A' ' 54' ' ' LYS . 37.3 tp -58.84 -38.07 77.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -69.22 -41.73 76.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -55.56 -35.02 65.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.939 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.663 HD13 ' CD2' ' A' ' 72' ' ' PHE . 31.4 mt -70.9 -38.58 73.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 23' ' ' ASP . 8.5 mm-40 -57.8 -40.71 80.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.936 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -43.49 -25.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.0 mmtt -79.51 -36.41 38.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 20' ' ' GLN . 0.7 OUTLIER -64.5 119.38 10.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.901 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.4 p -113.68 -41.01 3.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.135 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.438 ' O ' ' CG ' ' A' ' 26' ' ' ASN . . . -80.1 6.47 59.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.53 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.438 ' CG ' ' O ' ' A' ' 25' ' ' GLY . 2.4 p-10 46.26 41.56 9.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.81 0.338 . . . . 0.0 110.9 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.583 HD13 ' HD1' ' A' ' 89' ' ' PHE . 72.3 mt -85.94 -37.09 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.572 ' CD1' HD11 ' A' ' 96' ' ' LEU . 1.8 m-85 -99.35 -15.1 18.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.09 -10.05 13.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -142.94 151.95 57.51 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-O 121.642 0.734 . . . . 0.0 110.792 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 140.49 42.82 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.641 2.228 . . . . 0.0 112.382 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.1 t -70.65 122.38 86.5 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.611 0.72 . . . . 0.0 111.181 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 144.54 54.47 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.718 2.279 . . . . 0.0 112.336 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.3 mt -82.93 -26.9 30.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.991 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.7 m -46.04 -43.61 14.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -92.1 -20.51 21.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.8 t -126.24 84.82 61.03 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.596 0.713 . . . . 0.0 111.102 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.82 -18.69 36.57 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.63 2.22 . . . . 0.0 112.343 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -114.95 30.48 7.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.841 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -57.16 -60.11 4.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.918 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.422 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 19.2 mt -65.62 -39.8 91.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.95 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 41' ' ' LEU . 0.9 OUTLIER -37.88 -33.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.8 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.475 ' HB2' ' CE1' ' A' ' 82' ' ' TYR . 54.2 m-70 -106.94 -32.29 7.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.449 HD12 ' CB ' ' A' ' 78' ' ' ASN . 19.3 mm -99.59 124.12 52.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.156 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.421 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 6.8 mptt -83.73 -38.02 21.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.847 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.5 mtpt -129.94 88.08 49.87 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.581 0.705 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.422 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 53.9 Cg_endo -69.76 89.23 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.728 2.285 . . . . 0.0 112.316 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 25.9 tpp -94.52 156.03 16.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.924 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -153.86 178.11 10.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.464 ' CE2' ' HB2' ' A' ' 28' ' ' PHE . 3.4 m-85 -69.97 -37.93 75.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -83.8 -34.73 24.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 55.7 m -66.78 -60.51 2.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.115 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.433 ' SD ' HD13 ' A' ' 16' ' ' LEU . 3.0 ppp? -50.27 -32.51 17.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.744 ' HD3' HD23 ' A' ' 16' ' ' LEU . 20.7 tptm -65.17 -40.05 93.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -59.58 -48.38 81.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -61.63 -36.17 80.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.843 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.858 HD21 ' HG2' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -63.5 -42.14 98.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.633 ' N ' HD23 ' A' ' 57' ' ' LEU . 47.1 mt-10 -72.98 -11.83 60.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -98.74 18.33 17.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 53.89 44.56 29.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.945 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 37.7 mtt180 -96.7 -24.84 15.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.519 ' CZ ' ' OD2' ' A' ' 71' ' ' ASP . 18.5 m-85 -107.17 96.99 6.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.7 mt -95.56 -27.93 15.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -113.92 148.24 37.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -56.65 -43.57 80.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -51.3 -32.44 24.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -72.95 -58.65 3.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.821 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.514 ' CG ' ' HG ' ' A' ' 12' ' ' LEU . 76.9 t80 -51.97 -47.67 64.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -58.83 -49.25 78.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -44.06 -55.28 4.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.519 ' OD2' ' CZ ' ' A' ' 62' ' ' TYR . 2.1 m-20 -47.01 -57.88 4.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.833 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.663 ' CD2' HD13 ' A' ' 19' ' ' LEU . 23.7 t80 -50.13 -50.02 50.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.904 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -48.21 -51.41 25.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 75' ' ' ILE . 33.2 mt -50.5 -60.54 2.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.438 ' C ' ' O ' ' A' ' 74' ' ' LEU . 77.1 mt -34.03 -39.38 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.607 HG11 ' HB2' ' A' ' 97' ' ' ARG . 85.9 t -83.12 -46.19 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.165 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 80' ' ' LEU . 14.8 t -58.36 -68.24 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.449 ' CB ' HD12 ' A' ' 44' ' ' ILE . 3.3 p30 -40.05 -38.54 0.74 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.823 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.9 t -74.35 -36.27 63.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.837 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.531 HD12 HG12 ' A' ' 76' ' ' VAL . 88.8 mt -81.31 -10.04 59.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.9 ptmt -103.57 -30.13 10.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.475 ' CE1' ' HB2' ' A' ' 43' ' ' HIS . 4.9 t80 -82.42 -50.78 8.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -100.97 -177.74 3.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.955 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.578 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -128.6 173.21 10.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.493 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 33.3 mttm -49.85 -48.32 51.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.946 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -41.32 -57.36 2.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 72.1 p -55.52 179.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.521 ' O ' ' N ' ' A' ' 90' ' ' TYR . 6.8 mt -93.58 -62.8 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.583 ' HD1' HD13 ' A' ' 27' ' ' ILE . 0.7 OUTLIER -37.38 -27.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.578 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 9.2 t80 -71.39 -57.79 4.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -58.08 -37.16 73.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.934 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.34 -40.66 89.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.32 -40.95 94.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.059 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 11.7 t -53.73 -51.35 44.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -57.07 -52.93 63.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.572 HD11 ' CD1' ' A' ' 28' ' ' PHE . 37.0 mt -45.98 -51.44 13.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.607 ' HB2' HG11 ' A' ' 76' ' ' VAL . 52.4 ttt85 -58.97 -37.86 77.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -72.22 -66.61 0.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -63.81 -53.62 47.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.851 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -45.6 -38.27 7.23 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.461 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -46.56 -35.09 7.1 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.472 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.82 -36.16 81.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.814 0.34 . . . . 0.0 111.112 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 69.7 t -67.34 -42.98 88.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.144 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 80.5 mt -74.86 -31.78 61.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.998 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 34.7 mtm180 -72.62 -34.07 67.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.419 ' HA ' ' NE ' ' A' ' 109' ' ' ARG . 11.1 pt20 -80.32 -26.57 38.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.956 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.437 ' O ' HD21 ' A' ' 11' ' ' LEU . . . -87.89 -25.77 23.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.037 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 61.2 ttt-85 -56.66 -49.36 75.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.419 ' NE ' ' HA ' ' A' ' 106' ' ' GLN . 18.2 ptp180 -53.35 -33.68 54.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.935 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -66.48 -55.03 17.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.958 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.678 ' HB2' HD23 ' A' ' 11' ' ' LEU . . . -55.25 -14.06 1.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -100.25 -44.48 5.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.5 ptmm? -56.61 -30.46 63.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.461 ' HE3' ' HA ' ' A' ' 8' ' ' PHE . 8.2 mtt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.825 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.4 m -142.04 161.39 38.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.86 0.362 . . . . 0.0 110.897 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -38.28 -41.47 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.88 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.02 138.31 6.35 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.495 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.6 p -122.08 96.02 4.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.942 0.401 . . . . 0.0 110.889 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.648 ' O ' HD12 ' A' ' 10' ' ' ILE . 12.1 p -104.84 -50.61 3.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.441 ' HA2' HD13 ' A' ' 10' ' ' ILE . . . -40.46 -46.2 3.53 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.767 ' CE2' HD11 ' A' ' 12' ' ' LEU . 82.2 t80 -59.03 -37.74 77.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.906 0.384 . . . . 0.0 110.895 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.666 HD11 ' CE2' ' A' ' 60' ' ' TYR . 55.2 mt -62.72 -44.68 95.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.648 HD12 ' O ' ' A' ' 6' ' ' SER . 4.9 mp -61.06 -49.58 84.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.523 ' CD2' ' HB2' ' A' ' 111' ' ' ALA . 19.6 tp -50.38 -43.4 54.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.767 HD11 ' CE2' ' A' ' 8' ' ' PHE . 58.2 mt -64.46 -55.29 21.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.428 ' CG ' HD21 ' A' ' 57' ' ' LEU . 25.8 mtp180 -50.97 -40.7 58.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.823 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.421 ' HD2' ' N ' ' A' ' 15' ' ' THR . 0.2 OUTLIER -70.27 -38.26 75.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.571 HG23 HG12 ' A' ' 103' ' ' VAL . 24.3 m -65.36 -56.93 9.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.138 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 26.2 tp -40.05 -45.83 2.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -55.84 -51.01 69.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.652 HE22 ' NE2' ' A' ' 106' ' ' GLN . 39.8 mt-30 -48.0 -45.7 31.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.2 mt -57.97 -46.23 85.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -53.87 -42.07 68.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -46.05 -42.68 13.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -62.17 -41.82 98.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -78.3 90.77 4.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.796 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 52.4 p -82.72 -21.68 34.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.65 -16.78 59.51 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 61.39 38.04 16.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.819 0.342 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.491 HG21 ' HD1' ' A' ' 89' ' ' PHE . 42.6 mt -73.39 -32.36 36.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -103.87 -13.05 16.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -50.59 -29.05 9.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.917 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -124.72 152.09 68.84 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.661 0.743 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 137.03 34.56 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.695 2.264 . . . . 0.0 112.293 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.2 t -62.36 130.51 93.25 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.7 0.762 . . . . 0.0 111.068 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 142.11 47.06 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.731 2.287 . . . . 0.0 112.318 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.1 mt -84.69 -27.41 27.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.4 t -52.53 -37.78 58.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -91.74 -26.14 18.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.0 t -122.76 84.62 49.44 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.556 0.693 . . . . 0.0 111.067 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -21.8 32.98 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.712 2.275 . . . . 0.0 112.378 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -109.29 26.72 10.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -55.56 -61.87 2.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.436 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 42.7 mt -63.39 -36.96 85.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.947 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -42.61 -23.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.423 ' N ' ' O ' ' A' ' 41' ' ' LEU . 50.4 m-70 -115.75 -25.34 7.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.2 mm -107.81 120.15 58.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 40.8 mmtt -80.2 -39.08 29.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.911 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.441 ' HG2' HD13 ' A' ' 74' ' ' LEU . 48.8 tttp -131.93 86.83 46.5 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.567 0.699 . . . . 0.0 110.921 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.436 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 54.0 Cg_endo -69.8 116.9 4.78 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.592 2.195 . . . . 0.0 112.404 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.411 ' C ' HG12 ' A' ' 75' ' ' ILE . 33.3 tpp -123.56 149.62 45.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.42 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 0.3 OUTLIER -149.79 170.99 17.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -61.35 -37.62 83.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -73.8 -44.27 56.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.7 m -61.97 -55.71 26.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 7.4 ptm -50.59 -37.85 42.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.87 -54.02 51.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -50.05 -53.98 23.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -56.09 -42.28 76.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.476 ' C ' HD23 ' A' ' 57' ' ' LEU . 3.8 tt -62.59 -43.35 99.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -69.07 -16.57 63.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.62 10.12 36.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.666 ' CE2' HD11 ' A' ' 9' ' ' LEU . 5.3 m-85 60.49 41.18 16.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.971 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 51.7 mtt180 -89.87 -23.18 21.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -105.46 109.36 21.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.543 ' O ' ' CE2' ' A' ' 8' ' ' PHE . 6.7 mt -106.92 -25.01 11.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.959 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 65' ' ' PHE . 2.0 m-80 -120.34 126.24 50.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.442 ' C ' ' O ' ' A' ' 64' ' ' ASN . 12.5 t80 -34.47 -56.24 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 65' ' ' PHE . 4.1 t70 -35.36 -50.58 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.83 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -61.54 -53.93 49.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.627 ' CG ' HD22 ' A' ' 12' ' ' LEU . 49.9 t80 -55.74 -27.89 52.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -80.35 -38.81 29.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.827 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -51.39 -57.98 7.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -42.64 -57.37 2.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.815 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -50.0 -57.46 7.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -39.42 -53.18 2.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.441 HD13 ' HG2' ' A' ' 46' ' ' LYS . 65.1 mt -53.56 -56.05 20.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 74' ' ' LEU . 65.1 mt -36.23 -38.4 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.698 HG13 ' HB1' ' A' ' 93' ' ' ALA . 60.3 t -86.67 -43.65 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.187 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.3 m -58.84 -67.63 0.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.425 ' CG ' ' O ' ' A' ' 74' ' ' LEU . 2.6 p30 -44.16 -26.04 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.4 t -84.76 -38.74 19.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.568 ' CD1' HG12 ' A' ' 76' ' ' VAL . 65.1 mt -82.67 -10.88 58.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -99.86 -19.72 16.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -99.87 -41.06 7.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -106.5 166.51 10.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.567 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -115.05 164.31 14.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.152 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.57 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 37.3 mttm -43.75 -49.99 7.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.919 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -38.68 -53.86 1.6 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 52.7 p -57.7 174.71 0.22 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.161 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.505 ' O ' ' N ' ' A' ' 90' ' ' TYR . 1.7 mt -89.82 -61.77 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.491 ' HD1' HG21 ' A' ' 27' ' ' ILE . 1.0 OUTLIER -38.9 -25.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.57 ' CD1' ' HA ' ' A' ' 85' ' ' LYS . 6.4 t80 -69.06 -61.18 1.9 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 20.9 mtp85 -59.56 -29.35 67.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.427 ' CB ' HD12 ' A' ' 27' ' ' ILE . . . -70.96 -34.95 71.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.072 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.698 ' HB1' HG13 ' A' ' 76' ' ' VAL . . . -74.73 -34.92 62.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.115 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.5 t -61.49 -41.11 88.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.135 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -64.54 -42.95 95.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.823 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 60.9 mt -61.59 -47.03 87.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.591 ' HB2' HG11 ' A' ' 76' ' ' VAL . 58.7 ttt85 -62.41 -37.69 86.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -72.71 -64.59 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -64.65 -56.4 14.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -39.92 -37.4 0.97 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.464 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -45.75 -41.69 10.21 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.512 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.77 -37.41 84.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.834 0.349 . . . . 0.0 111.054 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.571 HG12 HG23 ' A' ' 15' ' ' THR . 96.7 t -66.24 -46.03 88.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.167 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 89.3 mt -71.84 -25.29 61.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 44.0 mtt180 -79.54 -32.71 42.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.854 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.652 ' NE2' HE22 ' A' ' 18' ' ' GLN . 8.5 pt20 -81.09 -32.72 33.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.403 ' N ' ' HG3' ' A' ' 106' ' ' GLN . . . -82.82 -25.26 32.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.058 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.8 tpp85 -60.81 -47.35 86.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -58.19 -33.55 69.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.829 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -67.48 -52.93 33.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.523 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . . . -56.53 -15.06 3.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -100.96 -40.28 7.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.3 ptmm? -63.7 -22.6 66.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 8.9 mtt -45.65 -41.35 10.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -104.17 107.53 2.97 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.425 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.3 t -62.14 88.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.945 0.403 . . . . 0.0 110.805 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -170.0 -84.52 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.454 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -5.93 17.35 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.716 2.277 . . . . 0.0 112.324 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 48.0 t -147.17 123.95 11.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.817 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 98.5 p -74.54 173.45 10.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.444 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -96.36 157.09 16.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.882 0.372 . . . . 0.0 110.872 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.9 m -80.06 44.59 0.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.72 -126.61 4.77 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.47 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -86.49 35.45 0.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 110.873 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 9' ' ' LEU . 2.0 m -42.08 -52.18 4.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.38 -57.52 1.43 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.484 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.806 ' CE2' HD11 ' A' ' 12' ' ' LEU . 46.5 t80 -47.57 -36.49 10.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 0.0 110.881 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.554 HD11 ' CE2' ' A' ' 60' ' ' TYR . 14.3 mt -60.32 -41.99 94.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 mp -65.05 -43.05 96.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.531 ' CD2' ' HB2' ' A' ' 111' ' ' ALA . 18.1 tp -58.12 -35.6 71.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.923 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.806 HD11 ' CE2' ' A' ' 8' ' ' PHE . 96.0 mt -72.7 -46.47 53.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 -64.45 -39.08 93.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -73.91 -35.24 64.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.444 ' N ' ' HG3' ' A' ' 14' ' ' LYS . 21.5 m -72.16 -42.25 66.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.424 HD13 ' SD ' ' A' ' 53' ' ' MET . 20.1 tp -54.91 -38.0 67.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.952 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -65.0 -45.42 85.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -51.3 -46.03 62.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.472 HD13 ' CD2' ' A' ' 72' ' ' PHE . 35.9 mt -58.28 -50.59 73.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -45.26 -47.7 12.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -42.31 -45.49 4.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.411 ' HB2' HD23 ' A' ' 96' ' ' LEU . 30.7 mmtm -52.16 -44.25 64.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -75.75 107.31 7.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.868 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 67.3 p -90.11 -29.89 18.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.75 -21.69 68.24 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.427 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 m120 65.33 32.09 10.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.341 . . . . 0.0 110.935 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.751 HD13 ' HD1' ' A' ' 89' ' ' PHE . 62.4 mt -67.78 -40.18 83.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.083 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.401 ' HB2' ' CD2' ' A' ' 50' ' ' PHE . 2.0 m-85 -92.32 -12.59 32.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -52.44 -17.34 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.827 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -132.69 151.89 78.93 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.688 0.756 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 137.51 35.48 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.66 2.24 . . . . 0.0 112.318 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 88.4 t -62.38 122.36 72.77 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.615 0.722 . . . . 0.0 111.134 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 121.34 8.04 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.639 2.226 . . . . 0.0 112.362 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 53.3 mt -65.04 -23.15 67.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.8 t -58.54 -38.61 78.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.811 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -88.53 -30.5 19.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.6 t -120.48 84.34 35.71 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.606 0.717 . . . . 0.0 111.123 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 -18.22 37.31 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.71 2.274 . . . . 0.0 112.35 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 39' ' ' ASP . 1.5 p-10 -109.75 24.93 12.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.421 ' CE2' ' HB3' ' A' ' 47' ' ' PRO . 22.6 t80 -57.83 -56.77 17.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.469 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 25.3 mt -69.33 -30.57 68.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -48.88 -37.9 21.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -106.48 -24.97 12.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.4 mm -104.25 100.78 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.141 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 50.8 mmtt -59.69 -47.88 83.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.421 ' HE2' ' CD1' ' A' ' 74' ' ' LEU . 36.0 tttt -131.99 87.74 43.47 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.508 0.67 . . . . 0.0 110.871 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.469 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 53.3 Cg_endo -69.85 148.13 63.84 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.643 2.228 . . . . 0.0 112.292 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.448 ' O ' ' CG ' ' A' ' 49' ' ' ASP . 32.4 tpp -141.78 165.39 27.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.799 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.448 ' CG ' ' O ' ' A' ' 48' ' ' MET . 4.2 m-20 -162.6 175.61 11.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.401 ' CD2' ' HB2' ' A' ' 28' ' ' PHE . 3.5 m-85 -70.29 -35.74 73.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.531 ' C ' ' CD1' ' A' ' 51' ' ' PHE . 0.4 OUTLIER -83.14 -36.52 24.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 59.1 m -61.0 -54.66 42.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.424 ' SD ' HD13 ' A' ' 16' ' ' LEU . 24.0 ptm -55.98 -39.18 71.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -54.17 -51.52 64.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -52.73 -55.31 23.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 42.2 m-20 -57.73 -42.8 84.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.493 ' C ' HD23 ' A' ' 57' ' ' LEU . 2.7 tt -59.71 -45.6 91.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.476 ' N ' HD23 ' A' ' 57' ' ' LEU . 21.2 mm-40 -66.82 -22.07 66.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.11 15.16 6.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.554 ' CE2' HD11 ' A' ' 9' ' ' LEU . 9.4 m-85 55.26 39.67 31.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.949 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 49.7 mtt180 -89.02 -25.51 21.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.823 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -103.94 116.18 31.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.6 mt -115.11 -23.9 8.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -119.7 141.48 49.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -50.73 -46.47 59.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -50.74 -25.08 3.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.797 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -86.73 -45.48 10.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.509 ' CG ' HD22 ' A' ' 12' ' ' LEU . 59.4 t80 -66.65 -25.31 66.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -89.34 -23.32 22.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -62.43 -45.41 93.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.836 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.486 ' OD1' ' N ' ' A' ' 72' ' ' PHE . 0.5 OUTLIER -64.72 -51.89 59.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.507 ' HA ' HD12 ' A' ' 75' ' ' ILE . 2.0 t80 -50.17 -38.44 39.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -62.5 -37.2 85.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.421 ' CD1' ' HE2' ' A' ' 46' ' ' LYS . 39.4 mt -63.83 -45.8 87.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.507 HD12 ' HA ' ' A' ' 72' ' ' PHE . 68.7 mt -48.04 -30.11 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.126 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.537 HG11 ' HB2' ' A' ' 97' ' ' ARG . 57.7 t -91.85 -50.04 12.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.106 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 80' ' ' LEU . 1.6 t -57.14 -66.68 0.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.431 ' ND2' ' HA ' ' A' ' 47' ' ' PRO . 90.0 m-20 -38.4 -41.18 0.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 34.5 t -70.97 -41.61 70.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 77' ' ' SER . 85.2 mt -74.67 -12.67 60.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -97.02 -34.99 10.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -78.77 -57.41 3.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.564 ' HB3' HG21 ' A' ' 87' ' ' THR . 7.7 m-20 -103.27 173.86 6.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.642 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -120.95 179.45 4.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.458 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 14.1 mtpp -51.59 -38.1 52.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -48.49 -36.32 14.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.564 HG21 ' HB3' ' A' ' 83' ' ' ASN . 61.8 p -79.91 169.5 17.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.175 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.502 HG22 ' N ' ' A' ' 89' ' ' PHE . 4.8 mt -83.27 -64.35 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.751 ' HD1' HD13 ' A' ' 27' ' ' ILE . 1.1 m-85 -38.84 -25.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.642 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 8.7 t80 -67.86 -47.54 68.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.429 ' NH1' ' HB3' ' A' ' 91' ' ' ARG . 10.0 mtp-105 -64.49 -48.96 73.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.958 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.56 -44.17 69.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.119 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.24 -41.41 96.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 38.8 t -58.59 -37.57 65.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.156 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.7 ttt180 -70.42 -48.88 54.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 100' ' ' GLY . 77.5 mt -54.39 -49.38 70.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.537 ' HB2' HG11 ' A' ' 76' ' ' VAL . 49.0 ttt85 -58.14 -41.24 83.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.836 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -69.89 -67.0 0.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -64.18 -54.5 32.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -41.22 -39.47 2.21 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.513 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -49.72 -40.91 34.18 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.411 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.64 -29.44 69.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.812 0.339 . . . . 0.0 111.068 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.1 t -77.37 -40.18 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 73.9 mt -73.54 -26.18 60.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.996 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 24.3 mtp180 -82.34 -32.22 29.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -79.33 -25.09 42.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -92.08 -27.25 17.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.171 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 35.0 ttp85 -56.72 -50.3 72.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -51.17 -33.48 27.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -67.25 -59.26 3.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.531 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . . . -47.81 -21.44 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.074 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -94.97 -45.9 7.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 10.1 pttp -55.43 -19.79 10.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.821 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 8.9 mmt -47.16 -63.63 0.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -94.23 -142.5 12.39 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.47 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 26.2 t -103.59 -44.6 5.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.844 0.354 . . . . 0.0 110.857 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 100.54 -163.75 18.81 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.483 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 103.98 1.25 Allowed 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.774 2.316 . . . . 0.0 112.307 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 21.7 t -92.74 90.29 7.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 56.5 p -75.05 -47.06 30.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.497 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -72.37 141.55 48.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.865 0.365 . . . . 0.0 110.861 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.2 p -145.2 122.58 11.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.48 113.94 3.98 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.523 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 m -55.16 89.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.816 0.341 . . . . 0.0 110.844 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 9' ' ' LEU . 1.6 p -81.58 -56.83 3.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.439 ' HA2' HD13 ' A' ' 10' ' ' ILE . . . -40.03 -38.08 1.16 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.444 ' CZ ' HD11 ' A' ' 12' ' ' LEU . 56.9 t80 -65.32 -41.1 94.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.357 . . . . 0.0 110.889 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 6' ' ' SER . 67.6 mt -55.67 -34.93 65.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.495 HD12 ' N ' ' A' ' 10' ' ' ILE . 3.5 mp -69.11 -46.05 78.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.651 ' CD2' ' HB2' ' A' ' 111' ' ' ALA . 52.5 tp -52.34 -32.63 39.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.732 ' HB3' HD12 ' A' ' 57' ' ' LEU . 6.2 mp -75.39 -50.25 16.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.981 ' HG2' HD21 ' A' ' 57' ' ' LEU . 71.9 mtp180 -60.89 -36.05 78.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -77.2 -35.31 55.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.427 ' N ' ' HG3' ' A' ' 14' ' ' LYS . 17.7 m -71.59 -40.32 69.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.138 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.487 ' CD2' ' CD ' ' A' ' 54' ' ' LYS . 9.4 tp -55.47 -40.61 71.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.982 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -63.86 -42.52 97.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -54.3 -40.67 68.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.837 HD13 ' CD2' ' A' ' 72' ' ' PHE . 65.0 mt -64.17 -51.41 63.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' A' ' 23' ' ' ASP . 12.5 mt-30 -46.07 -47.52 17.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -40.4 -39.16 0.93 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -61.15 -42.03 97.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 20' ' ' GLN . 40.2 t0 -75.89 107.29 7.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.836 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 66.7 p -89.51 -25.78 21.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.02 -19.33 57.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.518 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.5 m120 66.05 35.79 6.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.34 . . . . 0.0 110.937 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.52 HD13 ' HD1' ' A' ' 89' ' ' PHE . 67.1 mt -68.88 -44.25 81.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.173 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.457 ' HB2' ' CD2' ' A' ' 50' ' ' PHE . 1.1 m-85 -91.94 -5.03 53.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -62.33 -12.82 23.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.815 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -144.49 150.73 48.62 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.647 0.737 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 150.17 67.75 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.676 2.251 . . . . 0.0 112.333 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.8 t -80.19 123.68 83.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.64 0.733 . . . . 0.0 111.19 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 124.25 10.88 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.626 2.217 . . . . 0.0 112.326 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.7 mt -59.69 -33.55 71.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.6 m -45.01 -35.03 2.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.804 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -94.74 -29.73 14.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.8 t -125.3 86.23 57.29 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.708 0.766 . . . . 0.0 111.144 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.66 -18.53 37.44 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.634 2.223 . . . . 0.0 112.38 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -107.25 22.22 16.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.418 ' CE2' ' HB3' ' A' ' 47' ' ' PRO . 13.9 t80 -56.45 -65.01 0.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.452 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 16.3 mt -61.86 -41.33 97.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -38.13 -36.33 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.431 ' HB2' ' CE1' ' A' ' 82' ' ' TYR . 59.3 m-70 -104.96 -31.28 9.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.8 mm -101.57 119.19 49.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.5 mmtm -77.86 -43.04 31.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -128.02 87.24 56.09 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.616 0.722 . . . . 0.0 110.837 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.452 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 53.5 Cg_endo -69.82 93.76 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.669 2.246 . . . . 0.0 112.283 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 35.4 tpp -91.78 157.98 16.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.96 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -159.85 159.85 33.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.457 ' CD2' ' HB2' ' A' ' 28' ' ' PHE . 9.7 m-85 -53.93 -34.07 58.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -85.88 -39.31 17.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 27.7 m -61.13 -51.18 70.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.457 ' SD ' HD13 ' A' ' 16' ' ' LEU . 11.1 ptm -57.05 -34.71 68.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.487 ' CD ' ' CD2' ' A' ' 16' ' ' LEU . 16.1 tptm -58.07 -51.89 67.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -49.79 -50.89 43.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -64.79 -40.27 94.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.981 HD21 ' HG2' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -59.86 -41.72 92.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.946 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.658 ' N ' HD23 ' A' ' 57' ' ' LEU . 15.4 mt-10 -81.07 -6.39 58.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -98.28 16.81 20.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.073 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 57.78 35.74 25.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.6 mtt180 -90.13 -25.84 20.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -107.8 113.22 26.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.963 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.4 mt -110.34 -26.72 9.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.513 ' N ' ' ND2' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -122.47 143.88 49.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -51.51 -40.4 59.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -51.59 -25.64 7.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -87.43 -50.13 6.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.443 ' CG ' ' HG ' ' A' ' 12' ' ' LEU . 45.5 t80 -63.77 -21.01 66.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.91 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -88.16 -22.0 24.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.87 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -69.66 -52.78 22.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.84 -51.69 65.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.837 ' CD2' HD13 ' A' ' 19' ' ' LEU . 5.4 t80 -51.87 -39.53 59.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -61.22 -34.61 75.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.935 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 76' ' ' VAL . 34.8 mt -67.31 -54.36 21.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 72' ' ' PHE . 73.8 mt -38.93 -27.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.19 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.684 HG11 ' HB2' ' A' ' 97' ' ' ARG . 74.2 t -94.95 -43.52 13.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.142 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 80' ' ' LEU . 9.2 t -59.85 -68.78 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -41.44 -31.66 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 3.8 t -80.89 -38.81 27.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.586 HD12 HG12 ' A' ' 76' ' ' VAL . 74.8 mt -79.52 -12.03 59.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.46 ' CG ' ' N ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -98.28 -45.94 6.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.836 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.46 ' N ' ' CG ' ' A' ' 81' ' ' LYS . 10.3 t80 -66.6 -56.43 10.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.963 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -98.14 172.34 7.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.639 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -119.5 164.22 16.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.559 ' HG3' ' CE1' ' A' ' 90' ' ' TYR . 66.0 mttt -41.48 -44.02 2.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -41.15 -47.37 3.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 43.0 p -69.28 170.42 10.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.502 ' O ' ' N ' ' A' ' 90' ' ' TYR . 1.6 mt -82.32 -61.45 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.52 ' HD1' HD13 ' A' ' 27' ' ' ILE . 1.4 m-85 -39.03 -25.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.639 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 6.1 t80 -70.52 -60.56 2.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.941 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -55.47 -37.0 67.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.19 -43.84 90.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.076 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.552 ' HB1' HG13 ' A' ' 76' ' ' VAL . . . -61.55 -42.51 98.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.019 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.529 HG23 HD21 ' A' ' 80' ' ' LEU . 37.6 t -54.73 -42.39 61.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.427 ' HD2' ' NE2' ' A' ' 99' ' ' GLN . 5.8 ttp-105 -61.52 -59.98 4.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 100' ' ' GLY . 86.0 mt -45.29 -50.22 12.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.971 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.684 ' HB2' HG11 ' A' ' 76' ' ' VAL . 58.3 ttt85 -57.28 -41.0 78.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -74.07 -67.38 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.427 ' NE2' ' HD2' ' A' ' 95' ' ' ARG . 59.2 mt-30 -62.75 -54.03 45.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -45.19 -34.57 4.49 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.533 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -49.76 -41.69 35.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.478 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.2 -25.14 68.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.341 . . . . 0.0 111.094 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 97.2 t -78.64 -38.85 22.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 57.7 mt -78.77 -16.48 57.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 70.0 mtm180 -89.3 -39.5 13.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.81 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.591 ' NE2' ' HB2' ' A' ' 107' ' ' ALA . 3.8 pp0? -69.65 -29.53 67.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.591 ' HB2' ' NE2' ' A' ' 106' ' ' GLN . . . -85.46 -29.54 24.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -51.17 -43.99 61.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -57.22 -37.42 72.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -65.05 -53.17 49.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.651 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . . . -54.12 -15.96 1.77 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -101.63 -38.43 7.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 11.6 pttp -62.54 -21.1 65.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 7.1 mtt -49.51 -43.92 45.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.92 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -165.17 -160.37 12.48 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.438 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.0 t -103.65 -51.1 3.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.895 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 173.61 152.69 9.06 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.405 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -19.97 35.09 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.344 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 8.0 t -103.49 157.54 16.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 26.3 t -126.31 -55.8 1.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 179.974 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.432 -0.267 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p -104.21 142.0 35.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.937 0.398 . . . . 0.0 110.841 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -157.45 169.91 23.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.91 -96.24 0.22 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 m -100.31 53.58 0.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.891 0.376 . . . . 0.0 110.876 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.527 ' O ' HD12 ' A' ' 10' ' ' ILE . 5.5 m -72.87 -41.85 64.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.872 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -40.44 -56.82 2.82 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.502 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.82 ' CE2' HD11 ' A' ' 12' ' ' LEU . 68.2 t80 -46.7 -45.59 19.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.911 0.386 . . . . 0.0 110.901 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.55 HD11 ' CE2' ' A' ' 60' ' ' TYR . 21.9 mt -51.94 -54.72 26.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.654 HD12 ' H ' ' A' ' 10' ' ' ILE . 5.0 mp -53.76 -56.32 9.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.9 tp -41.75 -40.52 2.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.82 HD11 ' CE2' ' A' ' 8' ' ' PHE . 72.1 mt -68.9 -45.07 71.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.481 ' HG2' HD21 ' A' ' 57' ' ' LEU . 54.0 mtm180 -58.32 -42.7 87.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 15' ' ' THR . 0.2 OUTLIER -72.35 -38.63 68.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.434 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 87.0 m -68.18 -35.33 77.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.181 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.427 HD13 ' SD ' ' A' ' 53' ' ' MET . 35.9 tp -62.02 -39.55 92.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -65.48 -45.04 85.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -53.54 -35.6 60.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.451 HD13 ' CD2' ' A' ' 72' ' ' PHE . 50.2 mt -67.78 -39.34 84.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -59.9 -44.62 94.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -42.07 -45.78 4.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.946 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.469 ' HB2' ' CD2' ' A' ' 96' ' ' LEU . 28.9 mmtm -53.73 -42.24 67.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -78.88 85.1 4.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 52.1 p -70.99 -27.64 63.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.54 -17.05 69.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.437 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.0 m120 62.42 34.42 15.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.862 0.363 . . . . 0.0 110.914 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.428 HG21 ' HD1' ' A' ' 89' ' ' PHE . 21.4 mt -68.8 -36.59 74.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.173 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -99.65 -10.05 22.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -56.88 -14.08 3.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -140.16 152.1 66.42 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.699 0.761 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 137.8 36.3 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.678 2.252 . . . . 0.0 112.343 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.5 t -65.17 129.96 94.63 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.584 0.707 . . . . 0.0 111.073 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 146.21 59.67 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.651 2.234 . . . . 0.0 112.332 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 54.0 mt -84.48 -25.35 28.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.5 t -52.99 -42.89 66.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.771 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -89.85 -22.38 22.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.818 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.1 t -127.19 83.08 66.92 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.622 0.725 . . . . 0.0 111.072 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -20.82 34.09 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.739 2.293 . . . . 0.0 112.353 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -110.61 26.52 10.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -52.9 -52.5 57.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 43' ' ' HIS . 54.1 mt -73.46 -37.85 65.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 41' ' ' LEU . 15.9 t70 -37.08 -30.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.465 ' N ' ' O ' ' A' ' 41' ' ' LEU . 39.5 m-70 -111.42 -35.06 5.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.4 mm -94.5 129.9 44.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.1 mmtt -89.86 -41.6 11.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.898 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.1 tttp -128.78 87.16 55.56 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.599 0.714 . . . . 0.0 110.878 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 109.63 2.37 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.694 2.263 . . . . 0.0 112.353 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 25.8 tpp -110.45 162.51 14.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -160.8 172.84 16.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -62.65 -56.52 16.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -65.86 -42.85 89.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.5 m -58.37 -54.54 45.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.439 ' HG3' ' N ' ' A' ' 54' ' ' LYS . 2.4 ppp? -55.1 -33.55 62.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.446 ' HD2' HD22 ' A' ' 57' ' ' LEU . 9.6 tptm -64.16 -48.03 77.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -52.07 -45.11 64.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.838 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -68.17 -37.66 81.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.804 HD23 ' N ' ' A' ' 58' ' ' GLU . 0.9 OUTLIER -61.75 -57.05 13.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.804 ' N ' HD23 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -57.91 -20.74 39.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.23 9.99 13.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.158 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.55 ' CE2' HD11 ' A' ' 9' ' ' LEU . 16.3 m-85 60.22 43.18 14.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.1 mtt85 -94.54 -23.95 17.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.474 ' CZ ' ' OD2' ' A' ' 71' ' ' ASP . 13.8 m-85 -107.53 111.52 23.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.977 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.6 mt -107.46 -23.09 12.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -117.44 134.32 54.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -42.99 -38.01 2.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -55.56 -42.18 74.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -64.73 -60.9 2.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.515 ' CG ' HD22 ' A' ' 12' ' ' LEU . 48.7 t80 -48.3 -45.11 34.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -67.1 -50.79 60.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -38.61 -52.53 1.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.474 ' OD2' ' CZ ' ' A' ' 62' ' ' TYR . 15.0 m-20 -52.69 -55.72 20.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.832 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.451 ' CD2' HD13 ' A' ' 19' ' ' LEU . 10.6 t80 -50.64 -43.3 57.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -53.0 -56.1 18.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.446 ' HB3' ' ND2' ' A' ' 78' ' ' ASN . 73.9 mt -44.49 -52.0 8.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 83.5 mt -40.48 -46.64 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.653 HG11 ' HB2' ' A' ' 97' ' ' ARG . 84.0 t -77.63 -51.5 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.074 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 80' ' ' LEU . 12.8 m -56.05 -65.57 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.811 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.446 ' ND2' ' HB3' ' A' ' 74' ' ' LEU . 83.7 m-20 -40.98 -33.01 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 6.4 t -76.72 -42.55 40.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.52 ' CD1' HG12 ' A' ' 76' ' ' VAL . 10.9 mt -75.28 -15.03 60.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -94.31 -25.39 17.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -84.33 -55.68 4.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.957 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.559 ' HB3' HG21 ' A' ' 87' ' ' THR . 6.1 m-80 -108.71 -175.34 2.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.566 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -119.45 -174.55 2.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.576 ' HG3' ' CE1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -64.78 -15.16 61.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.86 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -72.54 -27.97 62.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.852 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.559 HG21 ' HB3' ' A' ' 83' ' ' ASN . 72.9 p -85.77 165.42 16.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.523 HG22 ' N ' ' A' ' 89' ' ' PHE . 3.9 mt -76.67 -65.0 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.523 ' N ' HG22 ' A' ' 88' ' ' ILE . 0.8 OUTLIER -37.92 -26.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.576 ' CE1' ' HG3' ' A' ' 85' ' ' LYS . 4.5 t80 -72.88 -68.36 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.011 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 44.2 mtp85 -49.01 -41.07 33.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.82 -40.98 99.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.409 ' HB1' HG13 ' A' ' 76' ' ' VAL . . . -67.33 -40.53 85.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 24.4 t -54.9 -41.42 57.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -64.82 -43.52 92.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 22' ' ' LYS . 31.6 mt -58.29 -43.21 87.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.653 ' HB2' HG11 ' A' ' 76' ' ' VAL . 49.7 ttt85 -63.14 -35.84 81.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -75.39 -60.5 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -68.87 -56.96 6.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.984 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -38.26 -39.86 0.8 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.463 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -45.76 -47.95 13.34 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.43 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.02 -27.69 33.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 111.093 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 68.9 t -79.27 -45.57 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 56.4 mt -72.96 -17.62 61.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.0 mtp180 -87.34 -38.04 16.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -74.05 -35.51 64.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -80.28 -21.99 42.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 7.8 tpp85 -59.61 -50.36 74.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -55.55 -32.31 62.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -68.66 -57.61 5.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.42 -14.86 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.087 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -100.46 -40.22 7.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -60.35 -25.16 65.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.818 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 14.0 mmt -41.11 -59.19 1.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 154.35 -163.76 31.23 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.446 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.9 m -173.68 114.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.988 0.423 . . . . 0.0 110.883 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -155.22 146.89 15.16 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.562 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -50.14 0.49 Allowed 'Trans proline' 0 N--CA 1.466 -0.12 0 C-N-CA 122.726 2.284 . . . . 0.0 112.383 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 89.8 p -108.33 162.2 14.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 86.0 p -43.4 119.42 1.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.516 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t 51.74 40.9 28.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.788 0.327 . . . . 0.0 110.806 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -102.44 38.6 1.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.16 -38.67 1.63 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.561 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -74.85 79.03 2.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.91 0.386 . . . . 0.0 110.883 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.475 ' O ' ' N ' ' A' ' 9' ' ' LEU . 10.1 p -63.17 -57.04 11.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -34.35 -43.87 0.38 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.518 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.549 ' CE2' HD11 ' A' ' 12' ' ' LEU . 87.8 t80 -58.17 -44.76 88.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 110.836 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.574 ' CD1' ' CE2' ' A' ' 60' ' ' TYR . 70.0 mt -59.47 -41.11 89.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.408 HD12 ' H ' ' A' ' 10' ' ' ILE . 4.5 mp -68.56 -43.7 83.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.7 tp -52.96 -39.99 63.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.549 HD11 ' CE2' ' A' ' 8' ' ' PHE . 47.4 mt -69.29 -52.6 25.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.539 ' CG ' HD21 ' A' ' 57' ' ' LEU . 79.7 mtt180 -48.06 -44.21 31.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.462 ' HD2' ' N ' ' A' ' 15' ' ' THR . 0.2 OUTLIER -71.12 -42.97 68.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.566 HG23 HG12 ' A' ' 103' ' ' VAL . 54.1 m -58.08 -49.68 76.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.784 HD13 ' SD ' ' A' ' 53' ' ' MET . 20.6 tp -50.32 -46.66 55.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -54.13 -51.84 62.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -45.7 -48.4 15.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.591 HD13 ' CD2' ' A' ' 72' ' ' PHE . 18.5 mt -57.53 -46.45 83.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -51.3 -43.69 61.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -48.86 -43.68 39.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.4 mmtt -58.02 -40.82 81.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -71.9 79.74 0.89 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.5 p -66.21 -35.85 81.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.426 ' O ' ' CG ' ' A' ' 26' ' ' ASN . . . -78.28 -9.15 87.21 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.437 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.426 ' CG ' ' O ' ' A' ' 25' ' ' GLY . 5.1 p-10 46.82 44.75 14.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.797 0.332 . . . . 0.0 110.88 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.587 HG21 ' HD1' ' A' ' 89' ' ' PHE . 86.4 mt -79.83 -38.76 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -92.06 -15.83 27.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -49.32 -18.73 0.4 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -132.53 152.34 79.82 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.697 0.76 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 133.56 25.84 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.642 2.228 . . . . 0.0 112.337 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.6 t -59.85 126.07 82.2 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.666 0.746 . . . . 0.0 111.162 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 141.95 46.77 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.685 2.257 . . . . 0.0 112.377 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 41.3 mt -82.46 -26.06 32.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.949 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.0 m -50.83 -40.91 56.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -90.81 -28.42 18.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.6 t -120.21 83.98 33.24 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.683 0.754 . . . . 0.0 111.126 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -17.9 37.51 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.695 2.264 . . . . 0.0 112.31 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -112.38 27.42 9.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -58.27 -61.96 2.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.441 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 24.7 mt -64.65 -33.09 75.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.899 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.0 -33.97 2.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.491 ' HB2' ' CE1' ' A' ' 82' ' ' TYR . 36.4 m-70 -105.75 -30.79 9.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.457 ' CD1' ' HD3' ' A' ' 81' ' ' LYS . 11.7 mm -101.47 123.7 54.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -82.27 -45.3 15.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.9 tttp -125.55 86.84 56.7 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.526 0.679 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.441 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 53.2 Cg_endo -69.73 113.41 3.36 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.642 2.228 . . . . 0.0 112.356 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 42.3 tpp -110.69 157.18 20.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -150.74 179.92 7.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -75.6 -39.68 57.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -77.48 -40.15 44.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.6 m -63.01 -52.71 61.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.152 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.784 ' SD ' HD13 ' A' ' 16' ' ' LEU . 3.6 ppp? -53.92 -36.53 62.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.635 ' HD3' HD23 ' A' ' 16' ' ' LEU . 14.8 tptm -65.68 -45.15 83.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -54.73 -46.33 74.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -66.25 -39.36 89.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.539 HD21 ' CG ' ' A' ' 13' ' ' ARG . 1.9 tt -61.08 -42.86 99.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.424 ' N ' HD23 ' A' ' 57' ' ' LEU . 8.1 mm-40 -67.71 -19.43 65.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.36 20.53 7.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.154 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.574 ' CE2' ' CD1' ' A' ' 9' ' ' LEU . 8.2 m-85 51.61 43.68 29.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.1 mtt-85 -93.26 -22.4 19.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -110.15 107.97 17.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.497 ' O ' ' CE2' ' A' ' 8' ' ' PHE . 7.2 mt -105.74 -25.58 12.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -114.15 146.04 40.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -55.07 -49.5 71.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -46.04 -32.19 2.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.933 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -76.45 -59.65 2.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.432 ' CG ' HD22 ' A' ' 12' ' ' LEU . 20.0 t80 -54.87 -25.5 29.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -84.93 -31.16 23.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -58.2 -56.5 21.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.836 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.532 ' CG ' ' N ' ' A' ' 72' ' ' PHE . 0.2 OUTLIER -49.26 -54.91 14.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.852 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.591 ' CD2' HD13 ' A' ' 19' ' ' LEU . 12.8 t80 -50.73 -45.33 58.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -57.74 -49.42 76.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 74' ' ' LEU . 14.7 mt -44.78 -52.49 8.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 57.7 mt -47.25 -47.15 9.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.404 HG11 ' HB2' ' A' ' 97' ' ' ARG . 89.4 t -67.91 -53.74 28.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 80' ' ' LEU . 10.3 p -61.96 -66.69 0.5 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 77' ' ' SER . 77.5 m-20 -36.18 -31.16 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.867 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.482 ' N ' ' O ' ' A' ' 77' ' ' SER . 7.8 t -81.22 -44.14 18.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 77' ' ' SER . 27.5 mt -71.79 -19.32 62.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.457 ' HD3' ' CD1' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -89.95 -36.23 15.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.844 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.491 ' CE1' ' HB2' ' A' ' 43' ' ' HIS . 12.7 t80 -77.48 -52.64 8.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.914 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.553 ' HB3' HG21 ' A' ' 87' ' ' THR . 1.8 m-80 -103.75 -176.38 3.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.647 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -125.68 -178.42 4.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.069 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.446 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -54.25 -34.3 60.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.937 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.08 -61.0 2.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.553 HG21 ' HB3' ' A' ' 83' ' ' ASN . 66.8 p -49.07 170.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.504 ' O ' ' N ' ' A' ' 90' ' ' TYR . 7.5 mt -87.07 -64.19 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.171 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.587 ' HD1' HG21 ' A' ' 27' ' ' ILE . 0.8 OUTLIER -38.16 -26.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.647 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 7.8 t80 -68.41 -65.76 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.954 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 52.8 mtt-85 -52.15 -41.4 62.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.46 -48.04 83.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.072 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -55.67 -45.11 77.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 43.5 t -50.53 -51.81 17.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.16 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 6.2 ttp-105 -55.75 -54.98 37.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 13.3 mt -43.97 -47.53 8.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.404 ' HB2' HG11 ' A' ' 76' ' ' VAL . 50.6 ttt-85 -64.91 -35.16 80.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -65.12 -66.53 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -69.04 -49.12 60.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -42.15 -39.8 3.15 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -47.06 -44.76 19.51 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.538 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.65 -27.15 62.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.836 0.35 . . . . 0.0 111.126 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.566 HG12 HG23 ' A' ' 15' ' ' THR . 87.6 t -82.1 -40.64 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 68.4 mt -75.76 -19.04 59.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 24.7 mtt85 -89.95 -39.27 13.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -70.88 -20.5 62.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -93.81 -38.37 11.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.048 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -47.55 -46.0 27.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -57.4 -34.58 69.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.954 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -66.68 -54.03 27.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.31 -16.92 1.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -94.92 -41.45 9.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 11.9 pttp -62.8 -28.37 69.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 8.3 mmt -39.37 -38.74 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 117.99 146.19 8.09 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.442 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 16.3 m -82.28 -45.31 15.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.933 0.397 . . . . 0.0 110.955 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 112.25 -95.14 0.78 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.488 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 116.22 4.46 Favored 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 122.698 2.265 . . . . 0.0 112.365 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 10.8 t -76.25 124.18 27.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.84 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.9 t -139.22 133.73 31.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.428 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t -97.54 106.93 19.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.833 0.349 . . . . 0.0 110.95 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 m -58.05 144.06 41.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.23 -124.4 1.39 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.482 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 p -106.68 35.82 2.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.873 0.368 . . . . 0.0 110.834 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 9' ' ' LEU . 4.4 p -71.25 -55.68 7.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.818 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.92 -45.68 1.63 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.457 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.493 ' CE1' HD11 ' A' ' 12' ' ' LEU . 43.8 t80 -60.18 -41.53 93.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.94 0.4 . . . . 0.0 110.899 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.711 HD11 ' CE2' ' A' ' 60' ' ' TYR . 18.9 mt -54.1 -41.94 68.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.976 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.439 HD12 ' H ' ' A' ' 10' ' ' ILE . 3.3 mp -59.24 -44.56 92.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.141 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 52.0 tp -53.53 -38.23 63.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.76 ' HB3' HD12 ' A' ' 57' ' ' LEU . 7.5 mp -74.59 -47.54 31.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.81 ' HG2' HD21 ' A' ' 57' ' ' LEU . 38.7 mtp180 -61.52 -32.98 73.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -83.68 -32.9 25.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.438 ' N ' ' HG3' ' A' ' 14' ' ' LYS . 18.5 m -73.43 -37.77 65.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.218 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.62 HD13 ' SD ' ' A' ' 53' ' ' MET . 29.1 tp -56.98 -40.72 77.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -65.04 -47.89 75.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -53.61 -31.2 46.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.973 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.414 HD13 ' CD2' ' A' ' 72' ' ' PHE . 96.2 mt -73.33 -45.57 54.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.401 ' O ' ' N ' ' A' ' 23' ' ' ASP . 10.5 mt-30 -53.41 -39.01 63.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -40.55 -42.84 1.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.582 ' HB2' HD23 ' A' ' 96' ' ' LEU . 24.8 mmtm -60.33 -42.33 95.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 20' ' ' GLN . 56.1 t0 -69.5 117.76 11.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.969 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.6 p -115.79 -24.95 7.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.203 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.44 ' O ' ' CG ' ' A' ' 26' ' ' ASN . . . -87.78 5.72 84.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.44 ' CG ' ' O ' ' A' ' 25' ' ' GLY . 1.9 p-10 46.25 42.71 10.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.828 0.347 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.481 HD13 ' HD1' ' A' ' 89' ' ' PHE . 74.7 mt -87.02 -36.59 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.063 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.58 ' CD1' HD11 ' A' ' 96' ' ' LEU . 4.3 m-85 -100.21 -14.81 18.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 t -51.97 -30.14 23.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -127.19 152.29 75.75 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.678 0.752 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.82 135.84 31.34 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.629 2.219 . . . . 0.0 112.392 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.3 t -53.86 126.48 50.52 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.663 0.745 . . . . 0.0 111.127 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 136.97 34.54 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.686 2.257 . . . . 0.0 112.354 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.3 mt -81.48 -38.49 26.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.9 t -48.09 -25.7 1.55 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -102.76 -29.45 11.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -130.81 83.84 60.26 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.625 0.726 . . . . 0.0 111.185 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -18.36 37.09 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.714 2.276 . . . . 0.0 112.298 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.49 ' OD1' ' CB ' ' A' ' 42' ' ' ASP . 6.4 t0 -99.28 14.32 29.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -57.86 -58.31 8.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.98 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.4 mt -63.02 -34.76 78.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.49 ' CB ' ' OD1' ' A' ' 39' ' ' ASP . 24.5 t0 -45.91 -41.76 11.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 45.4 m-70 -97.02 -41.58 8.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.9 mm -89.85 115.44 29.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.132 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.7 mmtm -75.03 -47.28 29.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -124.94 86.92 55.94 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.606 0.717 . . . . 0.0 110.879 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 97.8 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.669 2.246 . . . . 0.0 112.316 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.1 tpp -102.23 149.78 23.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -143.07 -177.44 5.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -73.89 -30.3 62.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -86.25 -47.5 9.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.6 m -54.17 -54.08 44.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.112 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.62 ' SD ' HD13 ' A' ' 16' ' ' LEU . 28.1 ptm -55.01 -38.27 67.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.816 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.595 ' HD2' HD22 ' A' ' 57' ' ' LEU . 13.3 tptm -58.39 -46.02 87.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -56.25 -58.32 8.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 57.6 m-20 -52.37 -39.52 60.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.951 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.81 HD21 ' HG2' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -58.71 -41.52 86.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.858 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.619 ' N ' HD23 ' A' ' 57' ' ' LEU . 58.8 mt-10 -76.02 -10.12 59.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -98.26 19.69 13.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.073 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.711 ' CE2' HD11 ' A' ' 9' ' ' LEU . 76.7 m-85 51.67 41.66 29.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 -93.04 -24.27 18.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -107.11 118.49 36.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.962 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.3 mt -117.04 -23.12 8.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.951 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -119.09 143.04 47.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -55.17 -41.78 72.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -52.24 -29.95 25.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -76.79 -62.44 1.64 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.419 ' CG ' ' HG ' ' A' ' 12' ' ' LEU . 24.2 t80 -50.88 -35.01 30.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -76.45 -21.06 56.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -73.83 -48.5 30.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 72' ' ' PHE . 0.3 OUTLIER -55.72 -44.72 77.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.743 ' HA ' HD12 ' A' ' 75' ' ' ILE . 7.6 t80 -57.19 -50.25 73.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 -50.2 -47.52 54.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.454 ' HB3' ' ND2' ' A' ' 78' ' ' ASN . 15.2 mt -49.47 -43.83 45.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.743 HD12 ' HA ' ' A' ' 72' ' ' PHE . 26.6 mt -53.51 -46.0 59.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.513 HG11 ' HB2' ' A' ' 97' ' ' ARG . 55.6 t -71.24 -56.15 11.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.237 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.501 ' O ' ' N ' ' A' ' 80' ' ' LEU . 23.4 p -56.08 -70.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.454 ' ND2' ' HB3' ' A' ' 74' ' ' LEU . 94.5 m-20 -37.33 -28.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.931 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.491 ' N ' ' O ' ' A' ' 77' ' ' SER . 6.2 t -83.76 -42.81 16.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.811 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.525 HD21 HG23 ' A' ' 94' ' ' VAL . 58.5 mt -74.36 -12.63 60.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.975 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -96.38 -27.68 14.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -83.99 -49.21 9.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.921 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -100.22 178.48 4.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.795 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.611 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -120.3 166.09 13.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.055 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.512 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 17.0 mtmt -52.2 -29.66 23.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.1 -41.65 98.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 44.9 p -69.64 174.2 5.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.511 ' O ' ' N ' ' A' ' 90' ' ' TYR . 4.1 mt -85.56 -62.14 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.493 ' N ' HG22 ' A' ' 88' ' ' ILE . 0.7 OUTLIER -38.46 -26.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.611 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 7.5 t80 -70.12 -60.96 1.97 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 56.2 mtp85 -56.29 -40.04 73.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.41 -44.02 96.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.136 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.28 -39.8 93.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.071 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.525 HG23 HD21 ' A' ' 80' ' ' LEU . 24.4 t -56.31 -54.9 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.085 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.475 ' HE ' ' NE2' ' A' ' 99' ' ' GLN . 12.1 ttt-85 -56.53 -48.77 76.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.582 HD23 ' HB2' ' A' ' 22' ' ' LYS . 41.8 mt -45.04 -51.76 9.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.513 ' HB2' HG11 ' A' ' 76' ' ' VAL . 23.4 ttt180 -62.99 -39.24 94.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -60.37 -66.32 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.475 ' NE2' ' HE ' ' A' ' 95' ' ' ARG . 32.5 mt-30 -66.18 -51.33 58.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -43.03 -35.63 2.4 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.543 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -46.32 -41.17 11.52 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.08 -42.43 89.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 0.0 111.078 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 91.5 t -57.65 -50.58 76.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 52.6 mt -70.6 -22.04 62.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -77.12 -40.23 46.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.803 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -75.74 -21.8 57.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -89.68 -30.28 18.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -58.67 -46.65 86.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -56.06 -33.76 65.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 112' ' ' GLU . 8.3 mt-30 -67.51 -64.2 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -40.56 -25.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 110' ' ' GLN . 14.8 mt-10 -87.26 -43.37 12.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 23.1 pttt -60.46 -23.25 64.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 21.4 mmt -44.28 -53.92 6.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -82.18 -95.21 0.51 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.502 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 7.2 t -137.09 122.51 19.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.928 0.394 . . . . 0.0 110.831 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -100.56 -92.18 2.11 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.513 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.65 95.45 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.711 2.274 . . . . 0.0 112.322 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.5 t -68.24 -50.94 50.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 17.7 t -65.17 -60.44 3.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.466 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.409 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.2 t -62.61 131.44 49.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.917 0.389 . . . . 0.0 110.776 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -83.74 -58.84 2.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.25 -79.66 0.35 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.481 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -98.6 74.08 2.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 110.795 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.555 ' O ' HD12 ' A' ' 10' ' ' ILE . 1.3 m -95.8 -46.41 6.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.39 -50.63 2.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.521 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.548 ' CZ ' HD11 ' A' ' 12' ' ' LEU . 66.8 t80 -53.15 -47.29 68.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.901 0.381 . . . . 0.0 110.916 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.5 mt -50.58 -51.47 47.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.594 HD12 ' H ' ' A' ' 10' ' ' ILE . 4.7 mp -53.94 -48.36 63.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.7 tp -53.61 -36.72 62.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.548 HD11 ' CZ ' ' A' ' 8' ' ' PHE . 9.9 mp -74.48 -44.78 49.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.405 ' HG2' HD21 ' A' ' 57' ' ' LEU . 80.3 mtt180 -61.08 -46.43 90.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -35.63 74.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.3 m -68.64 -45.41 71.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.437 HD13 ' SD ' ' A' ' 53' ' ' MET . 22.2 tp -53.2 -37.44 61.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.968 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -70.05 -47.57 61.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -48.57 -39.68 24.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.852 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.7 mt -65.85 -50.91 62.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -45.85 -43.73 13.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -42.22 -45.36 4.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.425 ' HB2' HD23 ' A' ' 96' ' ' LEU . 72.3 mmtt -59.98 -40.63 89.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -74.32 103.58 4.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.9 p -90.33 -34.14 15.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.89 -15.08 81.27 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.489 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 m120 58.68 35.09 24.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.789 0.328 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 88.0 mt -68.66 -38.87 79.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -92.69 -10.43 37.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 t -56.69 -13.94 2.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.846 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -141.6 152.27 62.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.657 0.742 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 137.08 34.47 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.641 2.227 . . . . 0.0 112.365 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 72.8 t -63.49 123.77 82.18 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.66 0.743 . . . . 0.0 111.113 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 136.16 32.1 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.663 2.242 . . . . 0.0 112.369 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 41.3 mt -72.97 -28.36 62.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.3 t -45.54 -43.08 11.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.83 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -90.34 -31.81 16.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.6 t -114.92 86.42 13.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.657 0.741 . . . . 0.0 111.099 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -19.93 35.28 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.344 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -116.04 32.95 5.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -60.21 -59.41 5.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.968 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 25.0 mt -64.99 -32.1 73.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -45.7 -39.24 7.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -99.91 -32.04 11.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.0 mm -101.75 120.15 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.164 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.56 -41.15 24.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -128.71 86.5 57.4 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.516 0.674 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 110.04 2.45 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.64 2.227 . . . . 0.0 112.339 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 47.3 tpp -113.34 155.51 25.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -160.06 176.82 11.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -63.88 -39.76 94.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -72.66 -51.62 18.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.6 m -56.73 -57.34 12.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.437 ' SD ' HD13 ' A' ' 16' ' ' LEU . 19.4 ptm -48.31 -43.37 33.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.406 ' C ' ' CD ' ' A' ' 54' ' ' LYS . 1.0 OUTLIER -55.72 -60.09 3.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.887 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 45.9 mm-40 -40.67 -44.84 2.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -69.39 -40.53 77.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.614 HD23 ' N ' ' A' ' 58' ' ' GLU . 2.7 tt -61.98 -51.75 66.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.614 ' N ' HD23 ' A' ' 57' ' ' LEU . 3.3 pt-20 -67.17 -18.95 65.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.71 7.68 29.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.13 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 62.42 46.34 5.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.4 mtt-85 -100.66 -25.48 14.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.481 ' CZ ' ' OD2' ' A' ' 71' ' ' ASP . 22.7 m-85 -102.89 101.39 11.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.449 ' C ' ' CE2' ' A' ' 8' ' ' PHE . 6.9 mt -101.65 -24.58 14.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -118.91 135.7 54.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 66' ' ' ASP . 12.2 t80 -43.11 -57.89 2.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 65' ' ' PHE . 5.7 m-20 -35.16 -44.77 0.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -64.6 -53.76 42.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.414 ' CG ' ' HG ' ' A' ' 12' ' ' LEU . 84.6 t80 -56.3 -34.88 66.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -72.3 -47.58 48.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -44.59 -55.76 4.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.481 ' OD2' ' CZ ' ' A' ' 62' ' ' TYR . 2.5 m-20 -47.62 -58.32 4.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -48.31 -53.24 18.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -44.55 -52.71 7.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 63.6 mt -52.6 -50.75 62.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.0 mt -41.32 -35.47 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.702 HG11 ' HB2' ' A' ' 97' ' ' ARG . 48.5 t -91.19 -47.57 14.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 80' ' ' LEU . 4.8 t -55.07 -70.3 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -40.01 -34.83 0.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 7.3 t -78.88 -35.98 42.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.678 HD12 HG12 ' A' ' 76' ' ' VAL . 78.6 mt -82.44 -8.05 59.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.83 -31.78 9.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -75.96 -52.95 9.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.484 ' HB3' HG21 ' A' ' 87' ' ' THR . 41.3 m-80 -107.51 -177.95 3.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.473 ' HA ' ' CE2' ' A' ' 90' ' ' TYR . . . -122.76 161.88 23.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.073 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.478 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 78.2 mttt -39.85 -30.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -55.62 -46.61 77.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.484 HG21 ' HB3' ' A' ' 83' ' ' ASN . 80.2 p -67.27 170.35 7.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.16 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.512 HG22 ' N ' ' A' ' 89' ' ' PHE . 4.9 mt -82.24 -64.03 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.131 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.512 ' N ' HG22 ' A' ' 88' ' ' ILE . 0.7 OUTLIER -38.6 -26.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.664 ' CE1' ' CD2' ' A' ' 80' ' ' LEU . 4.6 t80 -71.08 -64.08 0.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 60.2 mtt-85 -52.66 -37.37 58.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.33 -40.93 96.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.603 ' HB1' HG13 ' A' ' 76' ' ' VAL . . . -68.13 -39.64 82.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.491 HG23 HD21 ' A' ' 80' ' ' LEU . 15.0 t -52.47 -49.56 42.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -58.99 -54.47 46.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.425 HD23 ' HB2' ' A' ' 22' ' ' LYS . 76.2 mt -48.71 -42.08 33.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.702 ' HB2' HG11 ' A' ' 76' ' ' VAL . 55.2 ttt85 -66.25 -35.7 81.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -75.91 -66.19 0.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -62.55 -53.05 60.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -44.29 -40.21 5.89 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -43.49 -35.61 2.93 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.413 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.67 -35.01 78.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.843 0.354 . . . . 0.0 111.064 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 59.8 t -71.04 -36.33 62.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.071 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 89.8 mt -80.51 -26.78 37.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.812 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.8 mtp85 -78.28 -38.47 42.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.845 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -75.8 -22.7 56.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -89.36 -36.21 15.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.07 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -51.24 -45.86 62.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -57.68 -34.45 69.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -67.45 -55.08 15.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -52.77 -17.62 1.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -97.06 -39.82 9.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 10.2 pttp -61.26 -21.06 63.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.938 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 11.6 mmt -49.73 -56.73 9.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -179.04 -122.44 0.76 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.549 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.2 t -122.5 86.27 2.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.904 0.383 . . . . 0.0 110.808 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -84.79 -91.3 0.79 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.83 128.2 15.63 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.703 2.269 . . . . 0.0 112.325 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.9 t -117.13 119.03 33.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.9 m -116.93 128.37 55.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.85 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.477 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.5 m -68.75 168.02 14.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.856 0.36 . . . . 0.0 110.895 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.9 t -76.97 103.97 7.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.53 -104.65 0.18 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.468 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.8 m -126.18 78.11 1.74 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.928 0.395 . . . . 0.0 110.829 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.558 ' O ' HD12 ' A' ' 10' ' ' ILE . 13.4 p -88.2 -47.42 8.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.491 ' HA2' HD13 ' A' ' 10' ' ' ILE . . . -39.75 -43.46 2.34 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.482 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.46 ' CZ ' HD11 ' A' ' 12' ' ' LEU . 46.9 t80 -61.54 -43.28 99.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.889 0.376 . . . . 0.0 110.858 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 76.4 mt -53.29 -41.95 66.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.578 HD12 ' H ' ' A' ' 10' ' ' ILE . 4.7 mp -62.22 -43.57 98.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.511 ' CD2' ' HB2' ' A' ' 111' ' ' ALA . 44.4 tp -52.83 -39.02 62.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.46 HD11 ' CZ ' ' A' ' 8' ' ' PHE . 8.1 mp -70.36 -50.75 35.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.537 ' HG2' HD21 ' A' ' 57' ' ' LEU . 81.4 mtt180 -51.82 -42.21 62.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.42 ' C ' ' HD2' ' A' ' 14' ' ' LYS . 1.0 OUTLIER -71.13 -40.39 71.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 53.0 m -62.84 -54.01 45.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.108 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.6 tp -45.57 -46.81 14.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -60.09 -41.24 92.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -61.23 -40.02 92.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.707 HD22 ' CE1' ' A' ' 72' ' ' PHE . 44.2 mt -66.39 -45.92 78.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 23' ' ' ASP . 6.4 mm-40 -54.56 -46.86 73.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 20' ' ' GLN . 17.6 mt-10 -37.27 -48.09 0.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt -54.35 -43.25 71.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 53.1 t0 -58.67 114.6 2.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.3 p -104.39 -42.43 5.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.99 11.32 48.88 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.466 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.477 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 8.7 p-10 40.1 33.42 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 110.916 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 80.1 mt -72.87 -37.78 55.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.166 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -99.56 -17.25 17.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 t -55.11 -17.37 3.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -131.1 152.44 80.65 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.668 0.746 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 137.69 36.0 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.674 2.249 . . . . 0.0 112.304 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.7 t -59.19 114.61 9.6 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.687 0.756 . . . . 0.0 111.143 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 119.85 6.73 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.744 2.296 . . . . 0.0 112.311 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.36 -31.7 71.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.9 t -43.15 -39.93 3.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -94.71 -31.61 13.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.447 ' CG1' ' OH ' ' A' ' 82' ' ' TYR . 2.1 t -112.25 86.87 8.4 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.617 0.722 . . . . 0.0 111.065 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -18.47 36.96 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.638 2.226 . . . . 0.0 112.38 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -119.43 34.93 5.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -57.85 -55.81 30.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.466 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 26.8 mt -69.41 -42.37 75.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.96 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 41' ' ' LEU . 3.8 m-20 -34.41 -39.82 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -99.63 -32.6 11.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.8 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.0 mm -103.73 122.55 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.2 -49.16 10.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.576 ' HD2' HD13 ' A' ' 74' ' ' LEU . 0.8 OUTLIER -115.2 86.73 14.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.614 0.721 . . . . 0.0 110.818 179.862 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.466 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 54.3 Cg_endo -69.78 143.79 51.85 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.75 2.3 . . . . 0.0 112.326 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.411 ' CE ' ' HE3' ' A' ' 46' ' ' LYS . 34.3 tpp -148.29 164.17 34.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -164.36 172.12 13.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -67.93 -25.12 65.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.478 ' C ' ' CD1' ' A' ' 51' ' ' PHE . 1.4 t80 -90.85 -35.3 14.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 42.6 m -61.86 -53.9 49.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.176 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 8.0 ptm -55.43 -42.75 74.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.01 -50.22 58.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -53.33 -54.76 31.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.973 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -56.82 -45.33 82.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.537 HD21 ' HG2' ' A' ' 13' ' ' ARG . 3.4 tt -57.22 -44.22 83.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.411 ' N ' HD23 ' A' ' 57' ' ' LEU . 13.8 mm-40 -68.06 -17.89 64.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.46 15.42 23.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.155 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 56.51 44.16 24.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -91.82 -27.71 17.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.514 ' CE1' ' OD2' ' A' ' 71' ' ' ASP . 27.1 m-85 -101.71 97.96 8.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.998 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.7 mt -97.02 -27.66 14.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -115.15 128.66 56.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.411 ' CE2' ' HD3' ' A' ' 108' ' ' ARG . 64.0 t80 -38.97 -53.74 1.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 65' ' ' PHE . 9.4 t70 -37.84 -48.5 1.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -59.65 -55.69 31.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.805 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.46 ' CD2' ' HG ' ' A' ' 12' ' ' LEU . 19.9 t80 -55.4 -24.44 30.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -83.35 -44.63 14.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -47.1 -52.86 14.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.514 ' OD2' ' CE1' ' A' ' 62' ' ' TYR . 19.0 m-20 -49.01 -63.08 1.2 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.707 ' CE1' HD22 ' A' ' 19' ' ' LEU . 57.5 t80 -42.54 -46.69 4.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -53.99 -43.13 69.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.849 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.576 HD13 ' HD2' ' A' ' 46' ' ' LYS . 50.4 mt -63.17 -44.89 94.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.408 HD12 ' HA ' ' A' ' 72' ' ' PHE . 98.9 mt -48.56 -33.8 5.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.654 HG11 ' HB2' ' A' ' 97' ' ' ARG . 93.6 t -89.62 -43.19 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.13 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 79' ' ' CYS . 1.2 t -62.31 -70.43 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.795 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.437 ' ND2' ' HB3' ' A' ' 74' ' ' LEU . 89.7 m-20 -36.18 -32.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 77' ' ' SER . 3.6 t -80.57 -47.48 14.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.597 HD12 HG12 ' A' ' 76' ' ' VAL . 42.4 mt -63.7 -20.26 65.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.8 tttt -91.29 -44.32 9.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.447 ' OH ' ' CG1' ' A' ' 37' ' ' VAL . 4.8 t80 -59.43 -63.19 1.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.638 ' HB3' HG21 ' A' ' 87' ' ' THR . 1.1 m-80 -100.41 -178.83 3.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.629 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -122.68 162.05 22.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.056 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.57 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 72.9 mttt -37.48 -37.91 0.22 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -50.26 -48.27 54.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.824 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.638 HG21 ' HB3' ' A' ' 83' ' ' ASN . 44.0 p -66.89 165.5 15.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.109 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.52 HG22 ' N ' ' A' ' 89' ' ' PHE . 1.8 mt -77.1 -62.18 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.52 ' N ' HG22 ' A' ' 88' ' ' ILE . 0.6 OUTLIER -38.53 -26.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.846 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.629 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 3.6 t80 -71.77 -58.34 3.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 31.4 mtt-85 -58.69 -37.68 76.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.77 -36.98 86.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.18 -39.75 75.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 25.5 t -55.2 -35.71 37.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.153 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 5.6 ttp-105 -67.17 -54.4 21.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 96.4 mt -49.23 -47.37 46.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.654 ' HB2' HG11 ' A' ' 76' ' ' VAL . 43.5 ttt180 -62.64 -34.65 77.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -76.01 -67.69 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -63.33 -50.09 71.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 103' ' ' VAL . . . -41.96 -45.54 4.89 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.529 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -37.36 -48.32 1.61 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.443 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.63 -42.59 79.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.777 0.322 . . . . 0.0 111.096 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 100' ' ' GLY . 78.6 t -63.15 -40.0 87.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.11 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 79.6 mt -77.33 -26.53 52.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.6 mtt85 -76.22 -43.11 43.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.844 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -69.85 -26.8 64.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.858 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -90.81 -26.2 19.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.084 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.411 ' HD3' ' CE2' ' A' ' 65' ' ' PHE . 10.0 tpt180 -59.23 -48.76 80.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -56.6 -33.82 66.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -66.25 -55.34 16.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.511 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . . . -55.58 -14.0 1.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.059 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -103.77 -34.74 8.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -66.2 -20.48 66.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 10.1 mmt -45.56 -52.85 9.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -129.22 -104.81 1.15 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 89.4 p -173.21 110.53 0.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.845 0.355 . . . . 0.0 110.815 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -127.48 -92.6 0.78 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.517 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 95.65 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.664 2.243 . . . . 0.0 112.332 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 20.3 m -88.32 145.65 25.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 92.7 p -147.51 110.83 4.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.818 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.482 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.3 p -148.57 148.71 30.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.927 0.394 . . . . 0.0 110.783 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.0 m -101.62 128.16 48.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.848 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.0 -54.49 0.52 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.493 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -82.87 43.23 0.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.878 0.371 . . . . 0.0 110.864 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 m -55.82 -45.46 78.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -40.11 -51.47 3.5 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.512 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.474 ' O ' HD13 ' A' ' 12' ' ' LEU . 57.5 t80 -53.41 -35.84 60.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.89 0.376 . . . . 0.0 110.79 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.5 mt -61.26 -46.67 89.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.98 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.615 HD12 ' H ' ' A' ' 10' ' ' ILE . 4.3 mp -61.45 -33.84 58.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.06 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.66 -31.09 71.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.698 ' HB3' HD12 ' A' ' 57' ' ' LEU . 10.5 mp -76.14 -54.36 6.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.75 ' HG2' HD21 ' A' ' 57' ' ' LEU . 89.0 mtt180 -50.83 -40.36 55.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.827 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.46 ' HD2' ' N ' ' A' ' 15' ' ' THR . 0.6 OUTLIER -75.2 -45.13 42.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.46 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 27.5 m -60.01 -34.35 73.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.156 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.626 HD23 ' HD3' ' A' ' 54' ' ' LYS . 54.5 tp -62.74 -41.29 99.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -62.78 -46.34 88.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.617 HE22 ' NE2' ' A' ' 106' ' ' GLN . 22.6 mt-30 -54.71 -35.6 63.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.404 ' HG ' HG11 ' A' ' 103' ' ' VAL . 67.4 mt -71.36 -39.62 71.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 21' ' ' GLU . 9.2 mt-30 -55.44 -48.2 74.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 20' ' ' GLN . 12.2 mm-40 -36.33 -49.94 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.44 ' HD2' ' CB ' ' A' ' 99' ' ' GLN . 24.8 mmtm -49.29 -46.37 46.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 59.9 t0 -54.89 118.89 4.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.822 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.4 p -105.6 -48.06 3.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.64 9.09 45.19 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.472 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 4.8 p-10 40.56 33.73 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.832 0.349 . . . . 0.0 110.855 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.694 HG21 ' HD1' ' A' ' 89' ' ' PHE . 74.2 mt -71.57 -37.31 63.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.426 ' O ' ' N ' ' A' ' 30' ' ' GLU . 0.5 OUTLIER -96.02 -23.11 16.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -42.32 -24.19 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.901 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 28' ' ' PHE . 12.0 mt-10 -129.75 151.57 78.35 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.678 0.751 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 134.87 29.01 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.591 2.194 . . . . 0.0 112.364 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 83.4 t -56.76 119.84 32.82 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.635 0.731 . . . . 0.0 111.126 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.65 127.73 15.11 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.669 2.246 . . . . 0.0 112.413 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 69.2 mt -69.23 -31.32 69.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.9 t -44.01 -39.88 4.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -95.82 -28.23 14.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.5 t -115.75 84.55 12.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.595 0.712 . . . . 0.0 111.147 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -18.01 37.23 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.692 2.261 . . . . 0.0 112.328 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -117.34 32.57 6.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.48 ' CE2' ' HB3' ' A' ' 47' ' ' PRO . 22.4 t80 -57.57 -45.37 85.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.442 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 11.0 mt -79.44 -30.42 42.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -40.23 -38.17 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 46.7 m-70 -109.1 -31.15 7.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.438 HG23 ' OD1' ' A' ' 78' ' ' ASN . 19.0 mm -95.02 100.91 11.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -59.89 -46.41 89.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.4 ' HA ' ' HD2' ' A' ' 47' ' ' PRO . 40.1 tttt -132.24 91.91 30.26 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.611 0.719 . . . . 0.0 110.914 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.48 ' HB3' ' CE2' ' A' ' 40' ' ' TYR . 53.4 Cg_endo -69.76 140.05 41.73 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.593 2.195 . . . . 0.0 112.363 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 27.6 tpp -141.27 155.74 45.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -153.23 177.99 10.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.914 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -70.24 -32.93 71.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.449 ' C ' ' CD1' ' A' ' 51' ' ' PHE . 1.1 t80 -87.66 -38.99 15.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.5 m -57.82 -53.42 58.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.19 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 15.5 ptm -55.38 -42.33 73.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.626 ' HD3' HD23 ' A' ' 16' ' ' LEU . 8.6 tptm -53.86 -48.84 69.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -51.45 -48.39 62.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -65.98 -37.89 87.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.75 HD21 ' HG2' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -61.43 -43.74 98.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.692 ' N ' HD23 ' A' ' 57' ' ' LEU . 36.6 mt-10 -72.18 -12.98 61.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.09 12.5 30.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.064 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 59.64 41.42 18.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.979 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.6 mtt85 -91.92 -32.46 15.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.412 ' CZ ' ' OD2' ' A' ' 71' ' ' ASP . 23.5 m-85 -100.33 102.82 14.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.964 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.7 mt -99.24 -27.16 13.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -117.59 145.57 44.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -52.87 -53.88 42.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -38.67 -36.49 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -73.71 -55.46 6.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.478 ' CG ' ' HG ' ' A' ' 12' ' ' LEU . 83.1 t80 -53.14 -31.71 43.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -79.24 -43.55 23.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.835 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -46.55 -43.23 16.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.412 ' OD2' ' CZ ' ' A' ' 62' ' ' TYR . 4.0 m-20 -61.1 -60.35 3.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -43.73 -42.45 5.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -56.45 -46.48 80.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.462 ' HB3' ' ND2' ' A' ' 78' ' ' ASN . 34.4 mt -52.23 -58.33 6.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.426 ' C ' ' O ' ' A' ' 74' ' ' LEU . 48.9 mt -35.84 -48.07 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.472 HG11 ' HB2' ' A' ' 97' ' ' ARG . 48.2 t -71.63 -49.14 48.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 80' ' ' LEU . 5.4 t -60.55 -67.8 0.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.462 ' ND2' ' HB3' ' A' ' 74' ' ' LEU . 89.7 m-20 -38.11 -35.69 0.17 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.5 t -78.13 -40.47 37.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.918 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 77' ' ' SER . 85.6 mt -72.34 -12.05 60.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -100.57 -40.86 7.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -73.77 -41.16 62.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.484 ' ND2' ' HB2' ' A' ' 89' ' ' PHE . 69.7 m-80 -94.0 -174.49 3.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.933 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -121.47 -174.98 2.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.073 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.526 ' HD3' ' CZ ' ' A' ' 90' ' ' TYR . 8.3 mmtp -75.51 -20.66 58.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -102.99 45.84 0.94 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 20.7 p -135.59 164.46 27.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.193 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 90' ' ' TYR . 8.9 mt -76.49 -66.39 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.178 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.694 ' HD1' HG21 ' A' ' 27' ' ' ILE . 5.6 m-85 -38.29 -26.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.526 ' CZ ' ' HD3' ' A' ' 85' ' ' LYS . 2.7 t80 -72.5 -55.88 6.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 -60.0 -36.7 77.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.33 -37.73 88.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.14 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.06 -37.94 64.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.1 t -54.59 -49.22 68.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.151 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -60.46 -40.83 92.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.415 HD23 ' HB2' ' A' ' 22' ' ' LYS . 20.3 mt -57.94 -44.72 87.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.472 ' HB2' HG11 ' A' ' 76' ' ' VAL . 59.1 ttt-85 -65.79 -39.69 91.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -68.44 -63.69 1.01 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.44 ' CB ' ' HD2' ' A' ' 22' ' ' LYS . 48.0 mt-30 -66.09 -50.6 63.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -39.05 -43.32 1.79 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.458 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -43.24 -41.34 4.94 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.477 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.6 -42.34 98.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.839 0.352 . . . . 0.0 111.121 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.404 HG11 ' HG ' ' A' ' 19' ' ' LEU . 96.1 t -67.11 -41.27 86.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 56.7 mt -73.49 -35.51 65.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.5 mtt85 -69.89 -46.52 65.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.617 ' NE2' HE22 ' A' ' 18' ' ' GLN . 14.0 pt20 -62.28 -30.97 71.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -85.97 -27.49 24.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -58.14 -51.3 70.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -50.99 -33.42 24.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -70.93 -51.62 24.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.24 -13.99 6.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.12 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -100.52 -44.15 5.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.9 pttp -55.39 -24.07 27.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 8.5 mmt -44.23 -58.27 2.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -154.42 112.05 0.51 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.508 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 30.6 t -87.51 90.12 8.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.895 0.379 . . . . 0.0 110.85 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -112.48 -93.29 2.09 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.465 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.89 -23.76 29.83 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.652 2.234 . . . . 0.0 112.307 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 33.0 m -58.09 122.52 13.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.856 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.8 p -134.5 121.59 21.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 -179.952 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 m -138.25 140.64 39.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.891 0.377 . . . . 0.0 110.818 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -103.2 150.68 23.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.907 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.06 94.75 0.1 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.563 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -99.9 43.91 1.04 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.883 0.373 . . . . 0.0 110.865 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 9' ' ' LEU . 13.1 m -54.41 -48.72 71.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -34.37 -51.43 0.73 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.531 ' CE2' ' O ' ' A' ' 63' ' ' LEU . 53.3 t80 -54.6 -42.76 71.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.92 0.39 . . . . 0.0 110.875 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 6' ' ' SER . 24.6 mt -54.85 -50.42 68.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.941 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.458 HD12 ' H ' ' A' ' 10' ' ' ILE . 3.5 mp -52.95 -42.53 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.454 HD23 ' HB2' ' A' ' 111' ' ' ALA . 43.1 tp -54.97 -38.46 67.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.65 ' HB3' HD12 ' A' ' 57' ' ' LEU . 10.0 mp -70.91 -44.51 66.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.628 ' HG2' HD21 ' A' ' 57' ' ' LEU . 61.6 mtt-85 -61.37 -48.29 81.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -36.05 73.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.4 m -69.43 -39.12 78.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.563 HD23 ' HD3' ' A' ' 54' ' ' LYS . 27.3 tp -55.17 -39.8 69.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -68.46 -49.56 58.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.434 ' HB2' HG11 ' A' ' 103' ' ' VAL . 31.7 mt-30 -44.16 -42.04 6.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.593 HD13 ' CD2' ' A' ' 72' ' ' PHE . 38.5 mt -65.23 -50.21 66.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -45.15 -40.36 7.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -48.09 -44.82 32.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.52 ' HB2' HD23 ' A' ' 96' ' ' LEU . 26.3 mmtm -60.38 -37.93 82.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.426 ' HB2' HD21 ' A' ' 96' ' ' LEU . 43.8 t0 -73.28 79.28 1.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 65.2 p -64.39 -38.18 90.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.08 -9.01 87.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.469 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.5 p30 45.49 34.16 1.54 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.771 0.319 . . . . 0.0 110.848 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.49 HG21 ' HD1' ' A' ' 89' ' ' PHE . 80.1 mt -70.23 -36.61 68.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.084 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -94.7 -5.25 45.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -58.77 -12.85 4.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -138.23 152.26 71.26 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.609 0.718 . . . . 0.0 110.919 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 135.15 29.78 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.643 2.229 . . . . 0.0 112.325 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 81.0 t -61.44 123.88 78.39 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.625 0.726 . . . . 0.0 111.094 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 136.11 31.96 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.646 2.23 . . . . 0.0 112.327 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.3 mt -70.94 -27.73 63.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.5 t -45.13 -45.49 11.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.805 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -89.42 -31.47 17.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.4 t -114.5 86.23 12.16 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.601 0.715 . . . . 0.0 111.145 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -19.26 36.52 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.715 2.277 . . . . 0.0 112.319 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.1 33.51 5.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.511 ' CE2' ' HB3' ' A' ' 47' ' ' PRO . 33.1 t80 -60.12 -57.26 13.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.447 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 24.0 mt -65.16 -41.04 95.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.004 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -39.57 -43.81 1.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.818 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -97.24 -37.64 10.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.7 mm -96.62 99.89 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.5 mmtt -60.56 -52.64 64.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.436 ' HE2' ' CD1' ' A' ' 74' ' ' LEU . 44.1 tttt -117.81 87.88 28.68 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.618 0.723 . . . . 0.0 110.87 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.511 ' HB3' ' CE2' ' A' ' 40' ' ' TYR . 53.5 Cg_endo -69.84 101.53 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.693 2.262 . . . . 0.0 112.264 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 43.5 tpp -98.24 154.88 17.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -154.9 164.77 38.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -59.45 -36.27 75.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.829 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -85.49 -36.76 20.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 62.4 m -62.67 -43.86 97.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.508 ' SD ' HD13 ' A' ' 16' ' ' LEU . 18.0 ptm -62.58 -39.56 94.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.563 ' HD3' HD23 ' A' ' 16' ' ' LEU . 14.3 tptp -59.52 -46.17 89.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.939 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -53.51 -50.53 65.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -62.86 -35.75 81.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.65 HD12 ' HB3' ' A' ' 12' ' ' LEU . 0.4 OUTLIER -65.49 -45.16 84.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.949 179.891 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.621 ' N ' HD23 ' A' ' 57' ' ' LEU . 14.4 mt-10 -66.78 -13.87 61.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.69 8.81 44.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.083 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 62.28 44.16 7.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.845 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.5 mtt-85 -94.88 -24.77 16.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -105.66 103.68 13.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.963 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.531 ' O ' ' CE2' ' A' ' 8' ' ' PHE . 8.2 mt -101.08 -28.28 12.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -115.2 147.03 40.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -55.18 -50.65 68.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -43.24 -35.47 1.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -72.99 -57.82 3.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.495 ' CG ' ' HG ' ' A' ' 12' ' ' LEU . 64.1 t80 -53.01 -34.52 56.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -73.1 -50.5 22.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -40.66 -51.14 3.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.96 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.22 -59.53 4.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.593 ' CD2' HD13 ' A' ' 19' ' ' LEU . 34.8 t80 -46.08 -45.05 16.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -54.49 -46.15 73.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.964 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.436 ' CD1' ' HE2' ' A' ' 46' ' ' LYS . 29.4 mt -54.37 -59.7 4.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.838 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 74' ' ' LEU . 66.7 mt -36.12 -35.23 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.16 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.574 HG12 HD12 ' A' ' 80' ' ' LEU . 70.2 t -86.59 -48.28 15.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 80' ' ' LEU . 1.7 t -61.92 -66.54 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.808 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 77' ' ' SER . 95.2 m-20 -37.6 -32.91 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.403 ' N ' ' O ' ' A' ' 77' ' ' SER . 11.9 t -80.83 -42.59 21.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.574 HD12 HG12 ' A' ' 76' ' ' VAL . 19.0 mt -74.34 -10.13 59.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.4 ptmm? -101.14 -25.28 14.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.863 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -84.3 -50.28 7.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -109.33 -175.0 2.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.508 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -127.0 159.26 34.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.076 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.56 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 20.7 mttp -35.87 -35.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 84' ' ' ALA . 8.3 t70 -49.59 -49.28 47.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 82.3 p -67.15 172.69 4.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.16 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.514 ' O ' ' N ' ' A' ' 90' ' ' TYR . 7.4 mt -84.17 -64.34 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.21 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.49 ' HD1' HG21 ' A' ' 27' ' ' ILE . 0.7 OUTLIER -37.92 -26.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.56 ' CD1' ' HA ' ' A' ' 85' ' ' LYS . 3.2 t80 -70.48 -56.44 6.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.6 mtp85 -58.02 -48.13 81.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.86 -44.78 70.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.136 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.403 ' HB1' HG13 ' A' ' 76' ' ' VAL . . . -59.61 -41.4 90.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.9 t -56.02 -46.69 80.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.169 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -61.96 -51.58 67.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.52 HD23 ' HB2' ' A' ' 22' ' ' LYS . 13.9 mt -50.74 -43.23 58.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.453 ' HB2' HG11 ' A' ' 76' ' ' VAL . 46.1 ttt85 -63.27 -38.83 92.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -72.0 -60.16 2.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -64.71 -57.14 9.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -44.08 -34.27 3.08 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.454 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -48.62 -38.49 21.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.509 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.45 -37.31 84.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.33 . . . . 0.0 111.062 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.47 ' HB ' HD23 ' A' ' 19' ' ' LEU . 57.6 t -69.1 -36.51 73.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 82.5 mt -82.08 -25.74 34.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.955 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 -79.53 -32.56 42.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.418 ' HA ' ' NE ' ' A' ' 109' ' ' ARG . 7.7 pt20 -82.32 -22.43 35.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -92.76 -22.76 19.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 44.1 ttt-85 -59.7 -50.74 72.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.418 ' NE ' ' HA ' ' A' ' 106' ' ' GLN . 15.0 ptp180 -53.7 -33.75 56.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -64.52 -61.26 2.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.454 ' HB2' HD23 ' A' ' 11' ' ' LEU . . . -49.81 -17.99 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.166 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -91.87 -38.67 12.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 15.2 pttm -66.25 -27.51 68.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 11.3 mmt -40.93 -63.62 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.04 -158.19 15.25 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.508 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 42.6 m -94.94 90.89 6.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.914 0.388 . . . . 0.0 110.893 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -77.21 -158.09 9.09 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.475 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 157.12 61.56 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.707 2.271 . . . . 0.0 112.373 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.2 t -158.07 179.18 9.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.6 m -94.58 111.69 23.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.802 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.461 -179.951 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.0 m -109.54 174.33 5.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.891 0.377 . . . . 0.0 110.852 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.3 p -126.52 -57.05 1.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.43 45.83 0.42 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.494 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -66.32 82.3 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.822 0.344 . . . . 0.0 110.834 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 p -81.01 -54.57 5.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.471 ' HA2' HD13 ' A' ' 10' ' ' ILE . . . -39.56 -47.55 2.97 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.439 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.466 ' CE2' ' O ' ' A' ' 63' ' ' LEU . 75.4 t80 -54.04 -39.9 66.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.932 0.396 . . . . 0.0 110.898 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.495 ' CD1' ' CE2' ' A' ' 60' ' ' TYR . 74.4 mt -57.57 -36.96 72.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.471 HD13 ' HA2' ' A' ' 7' ' ' GLY . 3.6 mp -67.18 -40.71 85.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.558 ' CD2' ' HB2' ' A' ' 111' ' ' ALA . 27.5 tp -53.58 -39.41 64.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.75 ' HB3' HD12 ' A' ' 57' ' ' LEU . 3.0 mp -69.61 -47.19 64.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.794 ' HG2' HD21 ' A' ' 57' ' ' LEU . 13.7 mtp-105 -57.53 -37.93 73.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -77.29 -39.58 47.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.0 m -64.49 -44.24 91.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.661 HD13 ' SD ' ' A' ' 53' ' ' MET . 26.9 tp -53.67 -38.89 64.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -66.34 -43.09 87.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -57.64 -32.9 67.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.938 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.481 HD22 ' CE1' ' A' ' 72' ' ' PHE . 57.0 mt -69.99 -43.35 71.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -56.21 -37.36 69.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.97 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -43.71 -36.68 2.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -75.08 -35.86 61.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -66.88 114.21 5.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.958 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 47.8 p -117.77 -28.27 6.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.0 3.15 86.52 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.509 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 41.87 44.91 3.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.759 0.314 . . . . 0.0 110.881 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.492 HG21 ' CD1' ' A' ' 89' ' ' PHE . 77.0 mt -91.63 -36.15 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -99.31 -18.79 17.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.845 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -50.09 -18.89 0.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -134.11 152.1 77.76 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.703 0.763 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 130.43 19.26 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.712 2.275 . . . . 0.0 112.338 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.9 t -51.41 121.79 18.0 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.617 0.722 . . . . 0.0 111.104 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 137.39 35.39 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.69 2.26 . . . . 0.0 112.314 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 70.5 mt -74.28 -21.98 59.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.1 t -51.78 -43.85 63.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -91.98 -28.04 17.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.4 t -117.53 87.39 25.43 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.657 0.741 . . . . 0.0 111.11 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -25.37 28.29 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.637 2.225 . . . . 0.0 112.303 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -111.56 32.39 5.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.926 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -55.85 -55.51 31.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.956 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.465 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 36.5 mt -69.34 -39.44 78.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.936 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -39.8 -33.75 0.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -106.42 -32.36 8.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.534 HG23 ' OD1' ' A' ' 78' ' ' ASN . 35.9 mm -100.14 116.56 43.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.078 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -75.55 -46.66 30.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.43 ' HG2' HD13 ' A' ' 74' ' ' LEU . 48.3 tttp -124.27 87.23 53.96 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.588 0.708 . . . . 0.0 110.89 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.465 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 53.6 Cg_endo -69.77 114.93 3.87 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.643 2.229 . . . . 0.0 112.424 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.412 ' O ' ' CG ' ' A' ' 49' ' ' ASP . 46.5 tpp -112.95 163.21 14.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.781 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.412 ' CG ' ' O ' ' A' ' 48' ' ' MET . 5.7 m-20 -161.12 172.64 16.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -66.6 -35.09 79.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -84.61 -42.83 15.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.8 m -58.83 -52.32 66.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.661 ' SD ' HD13 ' A' ' 16' ' ' LEU . 21.4 ptm -53.84 -44.96 70.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.439 ' N ' ' HG3' ' A' ' 53' ' ' MET . 12.6 tptm -54.01 -52.56 60.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -47.0 -51.56 16.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -62.87 -34.87 78.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.794 HD21 ' HG2' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -64.7 -42.71 95.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.694 ' N ' HD23 ' A' ' 57' ' ' LEU . 32.7 mt-10 -77.46 -12.6 59.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.01 9.18 36.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.082 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.495 ' CE2' ' CD1' ' A' ' 9' ' ' LEU . 92.3 m-85 62.08 44.16 8.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.8 mtt-85 -99.81 -25.03 14.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.536 ' CZ ' ' OD2' ' A' ' 71' ' ' ASP . 17.2 m-85 -105.27 101.83 11.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.466 ' O ' ' CE2' ' A' ' 8' ' ' PHE . 8.6 mt -99.84 -28.58 13.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -114.68 149.81 36.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.936 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.498 ' CD2' ' HG3' ' A' ' 108' ' ' ARG . 22.4 t80 -56.54 -41.26 76.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -51.76 -36.09 46.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -67.96 -60.93 2.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.493 ' CD2' ' HG ' ' A' ' 12' ' ' LEU . 21.1 t80 -54.07 -36.73 63.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -66.55 -47.21 73.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -49.65 -50.29 43.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.536 ' OD2' ' CZ ' ' A' ' 62' ' ' TYR . 4.2 m-20 -50.3 -64.37 0.83 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.64 ' CD2' HD11 ' A' ' 104' ' ' LEU . 15.2 t80 -45.38 -49.16 13.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -48.51 -49.44 35.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.953 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.43 HD13 ' HG2' ' A' ' 46' ' ' LYS . 41.4 mt -54.01 -52.01 62.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.937 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 75.5 mt -40.14 -37.79 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.643 HG11 ' HB2' ' A' ' 97' ' ' ARG . 60.1 t -87.57 -48.42 15.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.145 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 80' ' ' LEU . 19.0 m -57.01 -68.04 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.534 ' OD1' HG23 ' A' ' 44' ' ' ILE . 76.6 m-20 -34.49 -36.23 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 77' ' ' SER . 35.6 t -77.42 -47.67 19.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 77' ' ' SER . 66.5 mt -69.17 -10.59 58.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.936 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -104.34 -29.46 10.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -85.52 -51.52 6.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -104.59 178.62 4.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.64 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -117.83 -178.77 3.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.404 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 78.4 mttt -63.01 -23.36 67.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -63.15 -39.0 93.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 80.6 p -73.73 164.7 26.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.16 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 90' ' ' TYR . 4.5 mt -78.01 -63.37 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.11 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.505 ' N ' HG22 ' A' ' 88' ' ' ILE . 0.7 OUTLIER -38.29 -26.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.64 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 3.4 t80 -72.78 -58.63 3.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -59.52 -28.03 66.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.4 -39.09 62.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.112 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.566 ' HB1' HG13 ' A' ' 76' ' ' VAL . . . -68.04 -36.58 80.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.065 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.6 t -54.82 -56.93 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.167 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -51.85 -50.33 61.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 100' ' ' GLY . 29.1 mt -50.87 -50.66 56.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.643 ' HB2' HG11 ' A' ' 76' ' ' VAL . 78.6 ttt-85 -56.65 -37.61 71.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -72.7 -63.66 1.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -67.27 -55.44 13.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.906 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -44.55 -34.75 3.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.509 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -50.97 -42.0 46.52 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.37 -26.03 64.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.786 0.327 . . . . 0.0 111.084 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 71.0 t -77.13 -43.59 31.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.147 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.64 HD11 ' CD2' ' A' ' 72' ' ' PHE . 50.2 mt -73.1 -34.02 65.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 66.0 mtt180 -73.86 -34.64 64.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -80.52 -18.41 48.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -92.08 -29.82 16.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.081 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.498 ' HG3' ' CD2' ' A' ' 65' ' ' PHE . 14.5 ttm180 -55.53 -46.67 77.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -55.97 -33.85 65.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -65.55 -59.4 4.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.558 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . . . -48.09 -20.01 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.089 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -92.09 -45.23 8.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.886 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.2 ptmm? -60.53 -29.43 69.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.431 ' CE ' ' HA ' ' A' ' 8' ' ' PHE . 51.1 mtt -40.77 -49.27 3.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -85.7 142.26 19.24 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.527 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 8.4 t -71.62 91.3 1.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.84 0.352 . . . . 0.0 110.878 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -142.38 -100.84 0.39 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.46 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -50.79 0.44 Allowed 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.741 2.294 . . . . 0.0 112.372 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 31.6 t -78.69 131.08 36.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.792 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 32.9 t -71.1 155.61 40.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.871 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.468 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 t -79.15 137.17 37.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.89 0.376 . . . . 0.0 110.831 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.8 m -108.88 -46.24 3.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.865 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.97 117.06 2.63 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.498 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m -90.86 46.28 1.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.835 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 9' ' ' LEU . 1.4 m -68.31 -48.28 65.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.856 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -36.09 -48.43 1.1 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.439 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -56.51 -42.13 77.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.853 0.359 . . . . 0.0 110.881 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.546 HD11 ' CE2' ' A' ' 60' ' ' TYR . 17.9 mt -56.74 -38.95 73.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.7 mp -66.56 -36.92 78.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.126 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.468 HD23 ' HB2' ' A' ' 111' ' ' ALA . 62.7 tp -58.3 -34.09 70.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.804 ' HB3' HD12 ' A' ' 57' ' ' LEU . 3.4 mp -76.75 -45.85 27.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.914 ' HG2' HD21 ' A' ' 57' ' ' LEU . 50.9 mtp180 -61.17 -40.2 92.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.11 -35.83 61.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.8 m -69.16 -46.97 66.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.169 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.552 HD23 ' HD3' ' A' ' 54' ' ' LYS . 56.3 tp -46.76 -43.98 18.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -64.3 -57.04 10.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.971 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -41.42 -33.14 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.555 ' HG ' HG11 ' A' ' 103' ' ' VAL . 29.6 mt -75.13 -42.26 56.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -55.49 -45.93 76.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.468 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -40.91 -42.02 1.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.982 0.42 . . . . 0.0 110.922 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -56.79 -44.01 81.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -71.19 112.76 7.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.6 p -97.03 -31.71 12.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.147 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.35 -11.01 82.79 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.542 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 m120 56.24 41.3 29.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.814 0.34 . . . . 0.0 110.862 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 73.2 mt -74.57 -44.56 47.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -93.58 -15.48 25.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -48.63 -20.56 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.806 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -131.86 152.06 79.63 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.603 0.716 . . . . 0.0 110.943 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 135.89 31.66 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.72 2.28 . . . . 0.0 112.369 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 77.7 t -67.2 121.74 79.76 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.69 0.757 . . . . 0.0 111.089 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 129.47 17.56 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.703 2.269 . . . . 0.0 112.261 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 69.8 mt -64.5 -29.58 70.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.0 t -49.91 -38.72 37.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -89.85 -33.32 16.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.6 t -119.75 83.82 29.78 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.639 0.733 . . . . 0.0 111.107 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -18.28 36.78 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.7 2.267 . . . . 0.0 112.276 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -110.53 25.68 11.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.84 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -57.62 -54.61 44.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.411 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 17.6 mt -71.12 -37.61 72.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -38.45 -42.09 0.71 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 32.8 m-70 -99.67 -37.05 9.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.9 mm -91.85 121.44 42.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.202 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 47.2 mmtt -79.03 -43.77 23.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.424 ' HE2' ' CD1' ' A' ' 74' ' ' LEU . 64.8 tttt -133.11 86.99 40.67 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.626 0.727 . . . . 0.0 110.945 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.411 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 53.2 Cg_endo -69.72 148.07 64.51 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.707 2.271 . . . . 0.0 112.298 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 42.7 tpp -147.48 164.1 34.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -157.2 -179.12 7.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -75.62 -26.47 57.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -91.76 -35.48 14.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.81 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.7 m -63.6 -50.7 68.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.172 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.452 ' HE3' ' OD1' ' A' ' 71' ' ' ASP . 11.0 ptm -56.63 -41.28 76.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.552 ' HD3' HD23 ' A' ' 16' ' ' LEU . 13.3 tptm -52.88 -49.89 64.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.932 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -51.01 -52.86 38.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -62.54 -38.57 90.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.914 HD21 ' HG2' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -59.8 -42.72 94.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.653 ' N ' HD23 ' A' ' 57' ' ' LEU . 27.4 mt-10 -76.1 -10.78 59.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.93 13.65 29.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.091 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.546 ' CE2' HD11 ' A' ' 9' ' ' LEU . 37.1 m-85 58.15 38.53 26.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.4 mtt180 -89.83 -24.2 21.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -103.29 93.85 5.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.1 mt -92.32 -25.6 18.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -123.26 137.58 54.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -45.47 -43.97 11.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -43.88 -34.73 1.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -73.97 -60.49 2.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.48 ' CG ' ' HG ' ' A' ' 12' ' ' LEU . 66.7 t80 -52.45 -20.65 3.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.87 -40.63 12.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.837 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -56.99 -55.17 38.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.452 ' OD1' ' HE3' ' A' ' 53' ' ' MET . 0.5 OUTLIER -50.5 -51.17 49.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.515 ' HA ' HD12 ' A' ' 75' ' ' ILE . 5.4 t80 -54.07 -41.55 68.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -60.66 -37.22 80.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.424 ' CD1' ' HE2' ' A' ' 46' ' ' LYS . 30.0 mt -62.4 -45.96 90.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.515 HD12 ' HA ' ' A' ' 72' ' ' PHE . 70.9 mt -46.63 -39.75 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.815 HG13 ' HB1' ' A' ' 93' ' ' ALA . 61.1 t -85.78 -49.06 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 78' ' ' ASN . 7.2 t -55.27 -68.94 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 77' ' ' SER . 92.3 m-20 -35.86 -37.58 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.976 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.5 t -74.69 -47.47 31.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.608 ' CD2' ' CE1' ' A' ' 90' ' ' TYR . 88.3 mt -60.99 -26.11 67.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -88.39 -34.86 17.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -73.8 -64.73 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -94.7 -178.55 4.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.55 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -122.94 159.81 27.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.547 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 19.2 mtmt -42.58 -33.04 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -54.63 -43.32 72.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.824 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 61.4 p -70.49 173.58 6.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.186 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.516 ' O ' ' N ' ' A' ' 90' ' ' TYR . 5.7 mt -83.03 -63.48 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.485 ' N ' HG22 ' A' ' 88' ' ' ILE . 0.7 OUTLIER -38.08 -26.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.907 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.608 ' CE1' ' CD2' ' A' ' 80' ' ' LEU . 3.8 t80 -73.52 -63.47 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -52.02 -41.44 62.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.53 -38.82 88.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.815 ' HB1' HG13 ' A' ' 76' ' ' VAL . . . -68.1 -40.41 82.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.9 t -54.39 -46.23 69.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -62.45 -53.67 51.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 48.7 mt -48.85 -46.61 42.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.571 ' HB2' HG11 ' A' ' 76' ' ' VAL . 46.9 ttt180 -62.45 -38.24 89.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -71.6 -65.44 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -63.9 -53.06 56.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -44.47 -30.48 2.1 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.467 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -49.63 -43.49 37.22 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.465 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.86 -27.27 69.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.343 . . . . 0.0 111.12 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.555 HG11 ' HG ' ' A' ' 19' ' ' LEU . 62.1 t -76.13 -36.9 31.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.503 HD11 ' CD1' ' A' ' 72' ' ' PHE . 68.7 mt -80.41 -29.01 37.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.41 ' HA ' ' NH1' ' A' ' 108' ' ' ARG . 58.9 mtm180 -78.18 -38.22 43.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.829 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.492 ' NE2' ' HB2' ' A' ' 107' ' ' ALA . 4.7 pp0? -72.06 -26.17 62.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.492 ' HB2' ' NE2' ' A' ' 106' ' ' GLN . . . -86.21 -42.16 14.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.41 ' NH1' ' HA ' ' A' ' 105' ' ' ARG . 7.4 ttm105 -47.94 -47.52 32.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.816 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -55.36 -34.25 64.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 112' ' ' GLU . 8.8 mt-30 -65.57 -63.87 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.937 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.468 ' HB2' HD23 ' A' ' 11' ' ' LEU . . . -41.88 -24.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.055 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 110' ' ' GLN . 19.3 mt-10 -86.97 -48.16 8.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 27.6 pttt -56.89 -28.29 61.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 6.9 mmt -46.51 -38.64 9.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -157.12 -155.97 7.7 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.46 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 92.4 p -159.97 128.53 4.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.89 0.376 . . . . 0.0 110.906 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 173.1 146.18 5.35 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.47 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 115.58 4.16 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.735 2.29 . . . . 0.0 112.307 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.2 m -105.44 127.8 53.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 16.5 m -52.45 136.99 30.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.532 -179.939 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.2 p -128.45 -44.55 1.38 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.827 0.346 . . . . 0.0 110.864 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -156.94 146.77 20.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.818 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.02 85.97 1.57 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.547 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.7 m -119.06 92.39 3.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.862 0.363 . . . . 0.0 110.85 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 9' ' ' LEU . 15.9 p -90.24 -55.65 3.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.09 -41.54 1.02 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.445 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.552 ' CZ ' HD11 ' A' ' 12' ' ' LEU . 76.7 t80 -62.25 -41.58 98.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.86 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.604 ' CD1' ' CE2' ' A' ' 60' ' ' TYR . 79.6 mt -57.11 -42.65 81.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.44 HD12 ' H ' ' A' ' 10' ' ' ILE . 4.0 mp -63.16 -35.0 70.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.626 HD23 ' HB2' ' A' ' 111' ' ' ALA . 67.7 tp -62.16 -37.82 86.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.745 ' HB3' HD12 ' A' ' 57' ' ' LEU . 8.7 mp -69.6 -53.93 16.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.721 ' HG2' HD21 ' A' ' 57' ' ' LEU . 61.9 mtt180 -50.93 -40.97 58.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.831 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.422 ' C ' ' HD2' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -72.25 -44.07 63.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.431 HG23 HG12 ' A' ' 103' ' ' VAL . 46.7 m -60.56 -56.67 18.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.517 HD23 ' HD3' ' A' ' 54' ' ' LYS . 58.4 tp -36.86 -45.96 0.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.904 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -57.91 -50.74 72.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.935 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.409 ' NE2' ' HD3' ' A' ' 14' ' ' LYS . 52.2 mt-30 -54.34 -19.8 6.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.9 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.431 HD13 ' CD2' ' A' ' 72' ' ' PHE . 45.8 mt -92.77 -35.68 13.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.5 ' HG2' ' CD1' ' A' ' 50' ' ' PHE . 10.8 mt-30 -69.32 -34.54 74.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -60.07 -40.63 90.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.429 ' HB2' HD23 ' A' ' 96' ' ' LEU . 71.0 mmtt -54.03 -32.19 53.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -81.97 81.39 7.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.83 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.4 p -62.36 -32.77 73.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.18 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.07 -22.73 73.34 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.518 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 m120 62.32 38.86 12.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.875 0.369 . . . . 0.0 110.937 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.47 HG21 ' HD1' ' A' ' 89' ' ' PHE . 59.8 mt -74.97 -42.31 45.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.12 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.415 ' HB2' ' CD2' ' A' ' 50' ' ' PHE . 1.5 m-85 -90.54 -7.44 52.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.946 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -56.35 -13.62 2.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -141.6 150.68 58.16 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.632 0.73 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 141.36 45.26 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 112.377 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.4 t -71.68 124.03 90.31 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.678 0.751 . . . . 0.0 111.146 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 126.35 13.21 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.659 2.239 . . . . 0.0 112.39 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 73.1 mt -59.8 -31.78 70.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.6 t -46.77 -37.15 8.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.843 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -90.87 -34.77 15.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.0 t -118.12 86.59 26.75 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.669 0.747 . . . . 0.0 111.07 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -18.14 37.08 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.611 2.207 . . . . 0.0 112.394 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -114.71 30.61 7.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.42 ' CE2' ' HB3' ' A' ' 47' ' ' PRO . 23.5 t80 -58.68 -51.5 69.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.46 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 30.9 mt -73.76 -39.78 63.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.958 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 41' ' ' LEU . 7.4 t0 -35.09 -40.34 0.12 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -102.18 -28.99 11.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.3 mm -99.11 118.6 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.9 mmtm -77.17 -45.51 26.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.954 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.473 ' O ' HD13 ' A' ' 74' ' ' LEU . 36.4 tttt -132.28 89.36 37.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.525 0.678 . . . . 0.0 110.921 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.46 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 54.2 Cg_endo -69.72 153.3 69.27 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.687 2.258 . . . . 0.0 112.372 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 38.7 tpp -151.01 162.14 41.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.821 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -153.2 177.03 11.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.5 ' CD1' ' HG2' ' A' ' 20' ' ' GLN . 5.3 m-85 -73.27 -35.79 66.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -82.62 -40.05 21.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 56.0 m -58.57 -49.76 76.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 17.2 ptm -59.18 -40.26 85.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.517 ' HD3' HD23 ' A' ' 16' ' ' LEU . 40.1 tptt -55.7 -52.63 63.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.873 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -48.22 -52.87 19.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -59.95 -40.69 89.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.745 HD12 ' HB3' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -58.78 -43.59 90.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.984 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.704 ' N ' HD23 ' A' ' 57' ' ' LEU . 60.6 mt-10 -73.13 -11.64 60.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.96 15.23 24.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.604 ' CE2' ' CD1' ' A' ' 9' ' ' LEU . 79.2 m-85 57.09 44.78 21.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.907 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.7 mtt85 -95.22 -32.87 12.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.818 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.449 ' CZ ' ' OD2' ' A' ' 71' ' ' ASP . 25.1 m-85 -99.13 105.19 17.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.971 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.2 mt -103.08 -25.12 13.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -118.55 137.88 52.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -45.88 -54.08 8.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -39.06 -40.11 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -66.75 -62.97 1.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.443 ' CG ' ' HG ' ' A' ' 12' ' ' LEU . 50.2 t80 -49.98 -32.34 14.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -74.29 -46.79 38.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -46.19 -45.17 16.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.449 ' OD2' ' CZ ' ' A' ' 62' ' ' TYR . 3.0 m-20 -58.18 -61.63 2.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.431 ' CD2' HD13 ' A' ' 19' ' ' LEU . 20.1 t80 -44.65 -38.0 4.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -65.87 -48.25 72.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.473 HD13 ' O ' ' A' ' 46' ' ' LYS . 14.7 mt -47.66 -46.7 29.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.417 HD12 ' HA ' ' A' ' 72' ' ' PHE . 50.2 mt -52.81 -43.16 44.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.517 HG11 ' HB2' ' A' ' 97' ' ' ARG . 84.9 t -74.82 -55.69 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.188 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 78' ' ' ASN . 32.7 p -57.06 -67.74 0.29 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.88 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.453 ' C ' ' O ' ' A' ' 77' ' ' SER . 97.5 m-20 -33.97 -42.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.2 t -69.74 -50.27 45.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.955 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.602 ' CD2' ' CE1' ' A' ' 90' ' ' TYR . 19.7 mt -60.93 -23.45 65.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.942 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -86.41 -33.21 20.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -76.18 -62.68 1.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.635 ' HB3' HG21 ' A' ' 87' ' ' THR . 1.5 m-80 -104.67 -176.63 3.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.61 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -119.29 -175.26 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.102 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.487 ' HD3' ' CE1' ' A' ' 90' ' ' TYR . 21.3 mmtp -58.02 -31.15 66.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -52.75 -55.41 22.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.895 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.635 HG21 ' HB3' ' A' ' 83' ' ' ASN . 77.3 p -56.89 171.38 0.35 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.168 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 90' ' ' TYR . 6.2 mt -85.83 -63.71 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.193 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.473 ' N ' HG22 ' A' ' 88' ' ' ILE . 0.9 OUTLIER -38.4 -26.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.915 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.61 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 4.1 t80 -72.31 -53.34 12.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 9.7 mtt-85 -59.07 -39.47 82.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.17 -42.58 93.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.157 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.1 -41.11 97.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.091 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.7 t -55.71 -44.79 78.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -65.85 -52.88 46.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.782 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.429 HD23 ' HB2' ' A' ' 22' ' ' LYS . 24.9 mt -47.04 -42.21 18.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.821 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.517 ' HB2' HG11 ' A' ' 76' ' ' VAL . 49.2 ttt180 -67.5 -39.41 85.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -67.57 -61.61 1.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -69.53 -52.34 27.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.978 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -46.77 -28.21 3.62 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.405 ' CA ' HH11 ' A' ' 105' ' ' ARG . . . -53.74 -48.77 60.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.42 -29.15 65.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.782 0.325 . . . . 0.0 111.069 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.431 HG12 HG23 ' A' ' 15' ' ' THR . 53.9 t -70.32 -41.23 78.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 88.2 mt -73.1 -46.26 52.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.458 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 3.4 mpt_? -59.17 -44.17 92.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -69.32 -21.85 63.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -91.31 -29.0 17.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.072 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 -58.06 -50.79 72.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -54.43 -33.39 59.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -69.75 -49.84 49.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.962 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.626 ' HB2' HD23 ' A' ' 11' ' ' LEU . . . -60.91 -16.87 46.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -98.09 -42.98 7.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 20.3 pttt -60.66 -20.65 61.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.55 ' HE3' ' HA ' ' A' ' 8' ' ' PHE . 6.0 mtt -43.45 -40.82 3.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.917 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -136.32 60.88 0.62 Allowed Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.404 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 96.0 p -93.21 107.34 19.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.975 0.417 . . . . 0.0 110.862 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -143.02 -85.9 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 1.71 4.15 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.679 2.253 . . . . 0.0 112.368 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 18.4 m -51.51 -60.73 2.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.783 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 24.8 p -134.72 162.19 33.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.845 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.471 -179.953 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 m -112.62 -47.05 3.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.895 0.379 . . . . 0.0 110.86 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.1 m -82.54 121.21 26.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.82 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.69 129.62 1.57 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.419 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 t -85.61 75.32 10.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.911 0.386 . . . . 0.0 110.83 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.565 ' O ' HD12 ' A' ' 10' ' ' ILE . 4.5 m -78.51 -51.49 9.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.852 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.514 ' HA2' HD13 ' A' ' 10' ' ' ILE . . . -38.86 -48.42 2.5 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.436 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.625 ' CE2' HD11 ' A' ' 12' ' ' LEU . 77.9 t80 -57.59 -39.05 75.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.884 0.373 . . . . 0.0 110.942 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.731 HD11 ' CE2' ' A' ' 60' ' ' TYR . 17.4 mt -59.63 -49.35 78.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.594 HD12 ' H ' ' A' ' 10' ' ' ILE . 4.5 mp -51.99 -56.41 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.103 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.9 tp -44.16 -52.59 7.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.625 HD11 ' CE2' ' A' ' 8' ' ' PHE . 55.6 mt -54.42 -49.5 69.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 83.1 mtt180 -56.41 -50.11 72.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.82 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.421 ' C ' ' HD2' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -59.69 -42.59 93.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.407 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 98.5 m -63.84 -52.82 58.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.164 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.2 tp -46.05 -38.12 7.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -68.95 -50.66 47.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.489 HE22 ' NE2' ' A' ' 106' ' ' GLN . 23.1 mt-30 -47.99 -46.73 33.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.942 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.9 mt -57.14 -49.06 77.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 23' ' ' ASP . 12.3 mt-30 -44.17 -51.96 7.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 20' ' ' GLN . 5.9 mm-40 -37.95 -46.07 0.94 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.571 ' HB2' HD23 ' A' ' 96' ' ' LEU . 27.9 mmtm -54.14 -44.6 71.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 20' ' ' GLN . 35.5 t0 -72.82 91.69 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 78.1 p -79.17 -20.86 47.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.37 -14.37 57.28 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.462 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 58.01 29.06 17.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 0.0 110.832 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.555 HD13 ' HD1' ' A' ' 89' ' ' PHE . 78.4 mt -66.62 -38.26 81.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.413 ' HB2' ' CD2' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -96.05 -8.83 32.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 t -59.97 -12.72 8.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.838 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -137.99 151.84 70.89 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.623 0.725 . . . . 0.0 110.953 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 137.05 34.39 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.685 2.257 . . . . 0.0 112.359 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.6 t -67.58 124.45 89.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.584 0.707 . . . . 0.0 111.187 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 135.08 29.6 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.668 2.246 . . . . 0.0 112.354 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 58.3 mt -73.5 -28.01 61.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.838 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.7 p -48.22 -40.05 23.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -90.85 -24.81 20.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.4 t -124.12 87.24 53.6 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.594 0.711 . . . . 0.0 111.156 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -19.89 35.53 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.672 2.248 . . . . 0.0 112.336 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -115.49 32.49 6.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -58.51 -57.45 12.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.465 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 17.3 mt -67.05 -36.0 81.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.934 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -43.14 -37.6 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.412 ' HB2' ' CD1' ' A' ' 82' ' ' TYR . 35.7 m-70 -99.94 -36.36 9.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.425 ' CD1' ' HD3' ' A' ' 81' ' ' LYS . 10.8 mm -102.83 107.0 21.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -67.0 -43.14 83.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -122.49 87.19 48.97 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.58 0.705 . . . . 0.0 110.912 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.465 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 53.7 Cg_endo -69.78 113.79 3.49 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.625 2.217 . . . . 0.0 112.354 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.418 ' C ' ' CG ' ' A' ' 49' ' ' ASP . 37.6 tpp -111.79 156.5 21.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.418 ' CG ' ' C ' ' A' ' 48' ' ' MET . 0.8 OUTLIER -162.65 163.32 27.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.806 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.413 ' CD2' ' HB2' ' A' ' 28' ' ' PHE . 11.6 m-85 -58.56 -34.67 71.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -81.74 -39.47 24.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 75.3 m -64.68 -50.54 66.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 19.5 ptm -58.74 -36.44 74.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.65 -52.34 66.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.942 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 -50.23 -50.33 50.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -61.14 -41.34 96.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.465 ' C ' HD23 ' A' ' 57' ' ' LEU . 4.0 tt -59.4 -44.12 92.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.858 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -70.54 -23.17 62.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.37 11.86 13.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.083 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.731 ' CE2' HD11 ' A' ' 9' ' ' LEU . 9.0 m-85 58.29 43.59 19.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.5 mtt-85 -92.01 -25.79 18.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.519 ' CZ ' ' OD2' ' A' ' 71' ' ' ASP . 26.3 m-85 -103.16 104.92 15.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.4 mt -102.47 -26.56 13.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -114.77 139.01 50.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -49.21 -45.74 44.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -51.69 -37.38 50.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -68.39 -42.28 79.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.838 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -67.47 -35.52 79.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -69.73 -49.91 48.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -42.14 -55.66 3.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.519 ' OD2' ' CZ ' ' A' ' 62' ' ' TYR . 13.2 m-20 -43.86 -57.95 3.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -48.35 -56.43 8.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -44.38 -56.5 4.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 74' ' ' LEU . 12.8 mt -41.16 -54.75 2.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 87.8 mt -45.81 -54.39 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.542 HG11 ' HB2' ' A' ' 97' ' ' ARG . 46.5 t -61.87 -54.34 35.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.154 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 80' ' ' LEU . 33.7 p -60.52 -70.18 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 74' ' ' LEU . 84.9 m-20 -38.21 -31.21 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.418 ' N ' ' O ' ' A' ' 77' ' ' SER . 30.0 t -80.09 -41.42 25.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.54 HD22 ' CZ ' ' A' ' 90' ' ' TYR . 70.8 mt -74.84 -18.83 60.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.425 ' HD3' ' CD1' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -89.84 -40.69 12.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.86 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.412 ' CD1' ' HB2' ' A' ' 43' ' ' HIS . 21.1 t80 -72.85 -48.52 36.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.94 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -100.57 174.27 6.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -117.45 160.23 21.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.112 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.527 ' HA ' ' CG ' ' A' ' 90' ' ' TYR . 8.4 mtmm -45.42 -38.06 5.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.44 -40.44 36.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 49.2 p -71.11 175.14 5.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.171 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.511 ' O ' ' N ' ' A' ' 90' ' ' TYR . 3.3 mt -88.94 -61.23 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.555 ' HD1' HD13 ' A' ' 27' ' ' ILE . 0.7 OUTLIER -38.24 -26.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.54 ' CZ ' HD22 ' A' ' 80' ' ' LEU . 4.7 t80 -68.45 -51.41 43.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.94 -47.84 73.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.924 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -51.37 -39.83 57.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.424 ' HB1' HG13 ' A' ' 76' ' ' VAL . . . -67.22 -40.69 86.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.3 t -54.32 -49.91 60.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.148 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -58.69 -47.56 84.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.571 HD23 ' HB2' ' A' ' 22' ' ' LYS . 47.7 mt -53.3 -47.65 69.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.958 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.542 ' HB2' HG11 ' A' ' 76' ' ' VAL . 73.4 ttt180 -62.3 -35.98 80.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.787 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -71.08 -66.25 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.46 ' CB ' ' HD2' ' A' ' 22' ' ' LYS . 49.5 mt-30 -63.34 -52.76 60.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -42.72 -38.45 3.14 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.555 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -44.86 -35.93 4.65 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.504 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.92 -35.65 67.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 0.0 111.084 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.3 t -69.39 -34.8 64.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.146 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 79.9 mt -81.26 -20.79 40.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.7 mtp180 -89.04 -35.14 16.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.518 ' OE1' ' HB2' ' A' ' 107' ' ' ALA . 0.0 OUTLIER -72.37 -29.19 63.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.518 ' HB2' ' OE1' ' A' ' 106' ' ' GLN . . . -87.56 -37.36 16.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 33.3 ttp85 -49.69 -51.91 34.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -48.54 -35.83 14.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.404 ' O ' ' N ' ' A' ' 112' ' ' GLU . 10.1 mt-30 -66.03 -58.64 5.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -42.35 -25.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 110' ' ' GLN . 29.7 mt-10 -91.38 -45.22 8.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 114' ' ' MET . 3.0 ptmm? -57.65 -28.4 63.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.803 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.422 ' C ' ' O ' ' A' ' 113' ' ' LYS . 14.1 mmt -36.66 -33.55 0.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 113' ' ' LYS . . . -136.97 -63.31 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.476 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 8.5 t -47.34 -57.69 4.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.866 0.365 . . . . 0.0 110.836 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 73.77 143.38 0.7 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.87 99.24 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.637 2.225 . . . . 0.0 112.285 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.6 m 47.17 39.96 9.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.825 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.4 t -132.04 157.81 43.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.488 -179.971 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m -91.09 103.41 16.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.874 0.368 . . . . 0.0 110.82 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 m -78.57 146.44 34.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.794 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.95 -139.18 6.29 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.495 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 m 54.89 44.94 27.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 110.873 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 9' ' ' LEU . 10.1 p -50.16 -50.3 49.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.32 -49.51 2.91 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.441 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.479 ' CE2' ' O ' ' A' ' 63' ' ' LEU . 43.6 t80 -56.51 -35.87 68.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 110.857 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.65 HD11 ' CE2' ' A' ' 60' ' ' TYR . 28.0 mt -63.73 -54.22 38.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.715 HD12 ' H ' ' A' ' 10' ' ' ILE . 3.9 mp -49.68 -54.21 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 19.8 tp -46.21 -31.82 2.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.634 ' HB3' HD11 ' A' ' 57' ' ' LEU . 83.4 mt -79.7 -49.23 12.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -60.03 -31.98 70.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -83.36 -35.51 25.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.449 HG23 HG12 ' A' ' 103' ' ' VAL . 8.4 m -70.44 -42.57 71.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.152 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.793 ' HA ' HD12 ' A' ' 19' ' ' LEU . 22.2 tp -56.5 -32.71 65.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -73.09 -40.5 64.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -58.92 -33.22 70.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.793 HD12 ' HA ' ' A' ' 16' ' ' LEU . 7.9 mt -66.95 -53.01 35.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.513 ' HG2' ' CD1' ' A' ' 50' ' ' PHE . 9.3 mt-30 -48.83 -43.44 38.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -40.97 -37.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.9 mmtt -67.43 -38.4 84.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 20' ' ' GLN . 23.2 t0 -69.91 83.14 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 67.6 p -75.07 -3.48 32.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.421 ' C ' ' CG ' ' A' ' 26' ' ' ASN . . . -107.46 -5.73 34.03 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.421 ' CG ' ' C ' ' A' ' 25' ' ' GLY . 0.7 OUTLIER 46.21 32.23 1.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.826 0.346 . . . . 0.0 110.889 -179.822 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.419 HG21 ' HD1' ' A' ' 89' ' ' PHE . 79.4 mt -72.26 -41.5 66.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.447 ' O ' ' N ' ' A' ' 30' ' ' GLU . 4.0 m-85 -90.4 -24.75 20.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -41.18 -24.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 28' ' ' PHE . 15.9 mt-10 -127.75 152.28 76.74 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.633 0.73 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 133.46 25.68 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.706 2.271 . . . . 0.0 112.334 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.1 t -58.04 121.46 50.97 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.659 0.742 . . . . 0.0 111.087 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 138.66 38.25 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.644 2.229 . . . . 0.0 112.366 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.9 mt -72.26 -26.48 62.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.9 m -51.37 -45.28 62.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -86.6 -29.61 22.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.6 t -122.02 84.8 45.4 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.599 0.714 . . . . 0.0 111.173 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -18.44 37.19 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.683 2.255 . . . . 0.0 112.328 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -114.24 29.71 7.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.841 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -56.67 -56.36 22.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 43' ' ' HIS . 11.2 mt -70.2 -39.17 75.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.403 ' OD1' ' CD2' ' A' ' 43' ' ' HIS . 1.2 t70 -38.63 -27.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 41' ' ' LEU . 42.7 m-70 -114.31 -37.17 4.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.552 HD13 ' HE2' ' A' ' 81' ' ' LYS . 34.0 mm -94.08 120.5 43.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.157 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.4 -48.54 16.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -123.84 86.47 53.33 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.567 0.699 . . . . 0.0 110.945 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.451 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 53.7 Cg_endo -69.76 118.19 5.53 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.7 2.267 . . . . 0.0 112.339 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 32.9 tpp -116.6 162.87 16.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -159.46 177.44 10.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.513 ' CD1' ' HG2' ' A' ' 20' ' ' GLN . 11.2 m-85 -66.26 -47.77 72.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.462 ' CE1' ' NE2' ' A' ' 55' ' ' GLN . 16.0 t80 -71.61 -41.87 68.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 94.7 m -60.55 -51.06 71.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.112 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.561 ' CE ' ' CE1' ' A' ' 68' ' ' PHE . 2.8 ppp? -58.62 -36.74 74.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.652 ' HD3' HD23 ' A' ' 16' ' ' LEU . 19.0 tptt -60.69 -53.68 54.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.853 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.462 ' NE2' ' CE1' ' A' ' 51' ' ' PHE . 32.6 mm-40 -47.74 -53.66 14.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -58.62 -38.79 78.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.634 HD11 ' HB3' ' A' ' 12' ' ' LEU . 7.2 tt -60.35 -59.39 5.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.509 ' N ' HD23 ' A' ' 57' ' ' LEU . 6.3 pt-20 -59.05 -20.57 54.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.65 6.7 16.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.65 ' CE2' HD11 ' A' ' 9' ' ' LEU . 36.2 m-85 61.75 43.56 9.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.953 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.8 mtt-85 -97.37 -22.93 16.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -106.99 98.8 8.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.479 ' O ' ' CE2' ' A' ' 8' ' ' PHE . 7.4 mt -94.49 -28.97 15.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -113.5 138.15 50.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -47.55 -52.17 18.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -40.3 -36.82 0.57 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -69.95 -63.75 1.02 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.561 ' CE1' ' CE ' ' A' ' 53' ' ' MET . 53.7 t80 -47.9 -34.51 9.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -78.1 -25.0 47.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -66.2 -55.57 15.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 72' ' ' PHE . 0.3 OUTLIER -53.79 -48.59 69.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.482 ' N ' ' OD1' ' A' ' 71' ' ' ASP . 8.9 t80 -53.68 -43.72 69.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -53.72 -52.03 61.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 50.0 mt -45.73 -55.32 6.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 78.8 mt -39.74 -31.58 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.61 HG11 ' HB2' ' A' ' 97' ' ' ARG . 91.2 t -93.23 -46.47 13.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 80' ' ' LEU . 1.0 OUTLIER -62.39 -65.75 0.64 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.869 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -39.59 -47.15 1.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 44.2 t -68.37 -31.89 71.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.55 HD12 HG12 ' A' ' 76' ' ' VAL . 65.8 mt -83.2 -14.03 54.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.552 ' HE2' HD13 ' A' ' 44' ' ' ILE . 10.1 pttt -102.22 -14.16 17.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -90.15 -44.5 9.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.458 ' HB2' HG21 ' A' ' 87' ' ' THR . 12.2 p30 -125.56 -179.39 4.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.597 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -116.08 -178.3 3.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.067 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.38 -37.33 36.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.981 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -44.87 -53.28 7.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.458 HG21 ' HB2' ' A' ' 83' ' ' ASN . 72.8 p -62.79 167.99 4.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.504 HG22 ' N ' ' A' ' 89' ' ' PHE . 3.5 mt -83.43 -61.89 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.504 ' N ' HG22 ' A' ' 88' ' ' ILE . 1.3 m-85 -38.37 -26.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.597 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 2.8 t80 -70.75 -56.8 5.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 29.6 mtt180 -61.07 -42.66 98.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.95 -40.63 98.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.059 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.87 95.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.141 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 90' ' ' TYR . 47.5 t -54.53 -37.51 38.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -65.91 -54.78 22.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.833 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 100' ' ' GLY . 28.0 mt -47.98 -48.2 32.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.61 ' HB2' HG11 ' A' ' 76' ' ' VAL . 39.2 ttt180 -60.51 -41.72 94.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -66.95 -62.72 1.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -67.28 -53.91 25.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -39.56 -44.79 2.51 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.485 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -41.57 -48.26 4.84 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.519 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.93 -36.22 65.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.833 0.349 . . . . 0.0 111.064 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.449 HG12 HG23 ' A' ' 15' ' ' THR . 97.9 t -73.92 -44.12 51.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.462 ' HG ' HD21 ' A' ' 19' ' ' LEU . 88.7 mt -75.97 -18.42 59.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 20.9 mtt-85 -88.32 -31.35 18.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.475 ' HA ' ' NE ' ' A' ' 109' ' ' ARG . 11.1 pt20 -84.6 -22.75 29.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -92.07 -24.86 19.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -58.71 -42.79 89.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.475 ' NE ' ' HA ' ' A' ' 106' ' ' GLN . 13.4 ptp180 -61.17 -33.13 72.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -66.86 -54.08 25.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.64 -15.97 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.071 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -100.5 -44.11 5.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.874 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.3 pttp -57.37 -19.95 26.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 3.3 mtt -51.46 -61.49 2.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -148.94 98.45 0.19 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.508 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 24.0 m -101.78 79.72 1.95 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.943 0.401 . . . . 0.0 110.874 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -92.11 -172.66 41.98 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 110.01 2.46 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.601 2.201 . . . . 0.0 112.324 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.0 m -98.34 161.16 13.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 29.1 t -95.69 -48.78 5.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.486 180.0 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.392 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.4 p -64.78 126.52 28.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.911 0.386 . . . . 0.0 110.838 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 m -70.01 -54.99 10.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.815 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.58 -54.52 0.73 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -88.73 43.9 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.943 0.401 . . . . 0.0 110.876 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.559 ' O ' HD12 ' A' ' 10' ' ' ILE . 2.6 m -63.81 -45.3 90.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -40.12 -53.95 3.2 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.494 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.616 ' CZ ' HD11 ' A' ' 12' ' ' LEU . 21.5 t80 -50.91 -42.61 59.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.947 0.403 . . . . 0.0 110.905 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.916 HD11 ' CE2' ' A' ' 60' ' ' TYR . 15.2 mt -55.15 -52.04 64.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.675 HD12 ' H ' ' A' ' 10' ' ' ILE . 4.9 mp -56.09 -53.55 37.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 19.9 tp -45.99 -30.76 1.93 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.616 HD11 ' CZ ' ' A' ' 8' ' ' PHE . 30.6 mt -81.35 -49.45 10.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.471 ' CG ' HD21 ' A' ' 57' ' ' LEU . 67.5 mtp180 -58.2 -35.57 71.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.9 -36.31 56.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.8 m -71.66 -38.41 70.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.745 HD23 ' HD3' ' A' ' 54' ' ' LYS . 25.8 tp -57.05 -35.67 69.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.974 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -74.04 -42.75 59.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -51.09 -42.81 60.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.926 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.432 HD21 ' HG ' ' A' ' 104' ' ' LEU . 9.3 mt -60.21 -46.43 89.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.928 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' A' ' 23' ' ' ASP . 10.0 mt-30 -47.82 -43.57 28.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -42.82 -42.69 3.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.1 mmtt -60.33 -35.9 76.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 20' ' ' GLN . 13.7 t70 -85.17 91.38 8.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 79.4 p -74.13 -31.6 62.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.101 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.46 -14.48 82.11 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.491 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 54.11 38.85 29.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.581 HG21 ' CD1' ' A' ' 89' ' ' PHE . 72.9 mt -70.81 -41.21 77.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -92.72 -6.69 48.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -56.57 -13.18 2.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -141.58 152.34 62.99 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.638 0.733 . . . . 0.0 110.87 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 150.46 68.2 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.72 2.28 . . . . 0.0 112.311 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 65.9 t -79.35 124.89 83.98 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.659 0.742 . . . . 0.0 111.091 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 140.22 42.3 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.632 2.222 . . . . 0.0 112.393 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.4 mt -78.54 -29.12 46.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 92.8 p -51.79 -35.72 44.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -92.46 -29.09 16.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.836 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.3 t -122.58 86.83 49.21 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.599 0.714 . . . . 0.0 111.135 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -18.93 36.9 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.65 2.233 . . . . 0.0 112.342 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -115.44 31.96 6.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -59.56 -57.95 10.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.977 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.462 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 13.2 mt -68.66 -32.39 72.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 41' ' ' LEU . 12.2 t0 -37.23 -34.83 0.09 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.802 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -111.31 -32.8 6.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 11.4 mm -90.92 127.41 43.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.44 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 3.7 mptt -86.41 -41.74 14.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.454 ' HE2' ' CD1' ' A' ' 74' ' ' LEU . 44.4 tttt -132.94 87.96 38.63 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.62 0.724 . . . . 0.0 110.911 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.462 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 54.5 Cg_endo -69.73 107.08 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.726 2.284 . . . . 0.0 112.362 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 42.1 tpp -108.53 156.57 19.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -153.68 168.67 25.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -59.56 -36.28 75.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -81.89 -50.62 8.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.1 m -50.79 -54.85 20.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.099 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 27.5 ptm -53.53 -41.88 66.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.807 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.745 ' HD3' HD23 ' A' ' 16' ' ' LEU . 21.3 tptm -58.2 -48.94 78.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.401 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 46.1 mm-40 -49.49 -45.43 46.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -67.08 -33.29 75.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.836 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.521 HD11 ' CB ' ' A' ' 12' ' ' LEU . 6.5 tt -64.36 -52.25 59.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 55' ' ' GLN . 5.1 pt-20 -64.16 -21.33 66.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.422 ' CB ' ' NH1' ' A' ' 61' ' ' ARG . . . -85.63 10.04 14.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.916 ' CE2' HD11 ' A' ' 9' ' ' LEU . 57.1 m-85 59.29 45.41 14.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.422 ' NH1' ' CB ' ' A' ' 59' ' ' ALA . 29.1 mtt85 -96.6 -28.21 14.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -103.05 99.39 9.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.458 ' O ' ' CE2' ' A' ' 8' ' ' PHE . 8.3 mt -95.24 -26.65 15.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.943 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -120.69 137.08 54.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 67' ' ' ASP . 8.5 t80 -44.36 -56.5 4.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 65' ' ' PHE . 3.4 m-20 -34.86 -33.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.871 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 65' ' ' PHE . 10.2 t0 -77.44 -56.68 4.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -53.88 -20.44 5.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -90.9 -30.9 16.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -60.14 -50.39 73.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.471 ' CG ' ' N ' ' A' ' 72' ' ' PHE . 0.3 OUTLIER -56.35 -51.35 68.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.471 ' N ' ' CG ' ' A' ' 71' ' ' ASP . 3.1 t80 -50.95 -47.37 61.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -50.09 -48.31 53.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.454 ' CD1' ' HE2' ' A' ' 46' ' ' LYS . 80.6 mt -55.17 -55.37 32.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.444 HD12 ' HA ' ' A' ' 72' ' ' PHE . 88.7 mt -37.47 -30.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.07 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.595 HG11 ' HB2' ' A' ' 97' ' ' ARG . 98.6 t -94.72 -39.68 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 78' ' ' ASN . 1.4 t -63.28 -67.74 0.4 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.43 ' CG ' ' O ' ' A' ' 74' ' ' LEU . 0.8 OUTLIER -36.67 -44.18 0.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.929 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 11.2 t -66.11 -48.09 72.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.949 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.481 HD21 HG23 ' A' ' 94' ' ' VAL . 82.5 mt -61.4 -23.07 65.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.1 ttmt -85.68 -52.43 5.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.947 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -71.11 -61.57 1.72 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -68.28 -175.83 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.599 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -139.26 160.84 38.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.489 ' HG3' ' CZ ' ' A' ' 90' ' ' TYR . 14.1 mtmm -57.52 -17.72 15.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -76.76 -28.52 55.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.964 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 13.8 p -85.53 175.05 9.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.586 HG22 ' N ' ' A' ' 89' ' ' PHE . 1.7 mt -84.51 -61.96 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.172 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.586 ' N ' HG22 ' A' ' 88' ' ' ILE . 1.5 m-85 -39.25 -25.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.599 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 3.7 t80 -74.63 -57.13 4.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -62.9 -34.33 77.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.8 -37.52 86.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.461 ' HB1' HG13 ' A' ' 76' ' ' VAL . . . -68.48 -38.19 80.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.105 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.481 HG23 HD21 ' A' ' 80' ' ' LEU . 5.0 t -57.77 -43.61 84.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -61.78 -55.49 29.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.817 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 100' ' ' GLY . 76.1 mt -47.38 -47.07 26.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.595 ' HB2' HG11 ' A' ' 76' ' ' VAL . 47.7 ttt85 -59.76 -41.34 90.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -74.4 -66.34 0.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -61.59 -53.93 49.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -46.85 -30.04 4.71 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.5 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -52.19 -36.28 44.21 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.41 -35.45 80.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.787 0.327 . . . . 0.0 111.075 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.2 t -68.49 -45.61 81.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.432 ' HG ' HD21 ' A' ' 19' ' ' LEU . 26.5 mt -70.77 -27.35 63.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 29.8 mtt85 -76.21 -43.11 43.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.818 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -69.21 -28.87 66.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -85.11 -28.45 25.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 40.6 ttt-85 -54.36 -55.64 26.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.48 -32.67 28.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -68.83 -57.81 5.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -51.97 -19.13 1.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -95.73 -45.7 6.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 28.6 pttt -54.93 -18.98 5.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 10.1 mmt -49.57 -49.93 44.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.852 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -179.08 -178.13 48.06 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.483 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.3 t -93.48 89.5 6.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.969 0.414 . . . . 0.0 110.895 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -85.88 -95.12 0.8 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.457 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.65 144.35 54.35 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 8.8 t -98.04 129.95 44.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 23.5 t -71.74 116.47 12.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.525 179.938 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.2 p -63.14 138.13 58.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 0.0 110.884 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.2 p -99.01 167.81 10.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.86 106.29 2.98 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.496 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -118.75 81.64 1.73 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.884 0.373 . . . . 0.0 110.87 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 9' ' ' LEU . 5.1 p -87.39 -53.69 4.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.42 -43.51 1.53 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.452 ' CE2' ' O ' ' A' ' 63' ' ' LEU . 38.4 t80 -58.09 -40.93 82.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.896 0.379 . . . . 0.0 110.906 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.466 HD11 ' CE2' ' A' ' 60' ' ' TYR . 47.0 mt -61.03 -35.51 77.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mp -67.99 -47.82 77.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.741 ' CD2' ' HB2' ' A' ' 111' ' ' ALA . 19.7 tp -50.99 -42.24 60.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.487 HD22 ' CG ' ' A' ' 68' ' ' PHE . 45.7 mt -66.17 -54.5 24.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -50.19 -37.05 33.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.433 ' HD3' ' NE2' ' A' ' 18' ' ' GLN . 0.5 OUTLIER -75.78 -36.85 59.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 179.895 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 16' ' ' LEU . 93.1 m -68.31 -59.11 3.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.475 ' CD2' ' HG2' ' A' ' 54' ' ' LYS . 25.1 tp -37.37 -36.51 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.918 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -67.07 -56.13 11.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.843 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.433 ' NE2' ' HD3' ' A' ' 14' ' ' LYS . 73.6 mt-30 -44.63 -43.77 8.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.679 HD22 ' CE2' ' A' ' 72' ' ' PHE . 10.9 mt -63.44 -44.81 93.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -52.15 -41.79 62.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -44.26 -45.11 8.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.447 ' HB2' ' CD2' ' A' ' 96' ' ' LEU . 48.9 mmtt -55.28 -34.73 64.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -76.98 119.1 20.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.5 p -116.9 -29.6 5.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.079 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.25 0.33 88.97 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 51.72 37.51 20.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.795 0.331 . . . . 0.0 110.863 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 81.3 mt -81.26 -42.91 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.579 ' CD2' HD11 ' A' ' 96' ' ' LEU . 1.4 m-85 -96.48 -14.22 22.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -58.11 -13.9 5.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -141.27 152.07 63.24 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.606 0.717 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 157.3 61.0 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.696 2.264 . . . . 0.0 112.361 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.6 t -83.62 125.06 74.56 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.697 0.76 . . . . 0.0 111.162 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 128.13 15.57 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.684 2.256 . . . . 0.0 112.363 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.1 mt -69.11 -37.36 78.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.957 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 79.2 p -48.55 -36.21 14.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -90.6 -29.9 17.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.958 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.5 t -126.67 85.34 60.78 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.718 0.77 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -18.92 36.53 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.669 2.246 . . . . 0.0 112.362 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.465 ' OD2' ' CD2' ' A' ' 43' ' ' HIS . 8.1 t70 -104.86 21.03 17.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -58.0 -64.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.443 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 17.8 mt -60.91 -40.33 92.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.443 ' CG ' ' OD1' ' A' ' 39' ' ' ASP . 0.6 OUTLIER -39.72 -33.14 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.85 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.465 ' CD2' ' OD2' ' A' ' 39' ' ' ASP . 61.7 m-70 -107.17 -36.51 6.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.57 HG23 ' OD1' ' A' ' 78' ' ' ASN . 29.3 mm -98.07 108.92 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -68.17 -46.96 69.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.795 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 42.9 tttp -123.37 87.03 51.89 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.558 0.694 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.443 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 54.0 Cg_endo -69.72 108.3 2.04 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.743 2.296 . . . . 0.0 112.283 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 32.8 tpp -112.38 154.23 26.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -152.1 176.58 11.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.457 ' CD2' ' HB2' ' A' ' 28' ' ' PHE . 6.9 m-85 -67.32 -39.19 85.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -81.9 -33.45 30.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 22.9 m -68.03 -51.96 40.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.406 ' SD ' HD13 ' A' ' 16' ' ' LEU . 2.5 ppp? -60.96 -30.55 70.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.85 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.475 ' HG2' ' CD2' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -63.77 -50.19 70.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.1 mm-40 -49.96 -48.5 52.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.963 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -61.51 -44.37 97.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.474 ' C ' HD23 ' A' ' 57' ' ' LEU . 4.5 tt -56.89 -44.44 82.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -67.36 -22.46 65.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.45 24.0 4.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.06 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.466 ' CE2' HD11 ' A' ' 9' ' ' LEU . 3.2 m-85 48.32 41.4 16.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.934 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 30.9 mtt-85 -86.4 -24.29 25.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.4 ' CE1' ' OD2' ' A' ' 71' ' ' ASP . 23.5 m-85 -108.2 113.35 26.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.452 ' O ' ' CE2' ' A' ' 8' ' ' PHE . 5.3 mt -110.82 -22.68 11.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -117.45 131.44 56.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -44.63 -45.16 9.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -49.15 -38.73 26.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -71.82 -57.76 4.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.83 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.487 ' CG ' HD22 ' A' ' 12' ' ' LEU . 37.7 t80 -49.83 -37.67 31.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.465 ' OE2' HD13 ' A' ' 104' ' ' LEU . 13.1 tt0 -72.51 -50.14 27.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -42.04 -50.94 4.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.834 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.4 ' OD2' ' CE1' ' A' ' 62' ' ' TYR . 7.4 m-20 -50.68 -54.53 22.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.815 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.679 ' CE2' HD22 ' A' ' 19' ' ' LEU . 3.5 t80 -51.38 -55.72 17.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -44.68 -57.33 3.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.4 mt -41.98 -55.47 3.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 95.3 mt -41.15 -38.19 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.098 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.642 HG11 ' HB2' ' A' ' 97' ' ' ARG . 50.7 t -81.0 -49.04 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.416 ' OG ' ' N ' ' A' ' 78' ' ' ASN . 51.8 p -59.67 -64.53 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.57 ' OD1' HG23 ' A' ' 44' ' ' ILE . 62.9 m-20 -38.63 -42.64 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.847 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 11.6 t -66.21 -47.57 73.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.815 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.573 ' HA ' ' CD2' ' A' ' 90' ' ' TYR . 8.1 mt -65.58 -22.9 66.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -80.23 -33.77 37.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -79.93 -66.22 0.9 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -97.02 -178.49 4.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.464 ' HA ' ' CD2' ' A' ' 90' ' ' TYR . . . -128.61 171.49 12.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.031 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.585 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -52.19 -17.79 1.24 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.91 -5.45 21.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 57.8 p -119.42 -177.34 3.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.51 ' O ' ' N ' ' A' ' 90' ' ' TYR . 7.0 mt -88.68 -64.83 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.49 ' N ' HG22 ' A' ' 88' ' ' ILE . 0.9 OUTLIER -38.06 -26.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.585 ' CD1' ' HA ' ' A' ' 85' ' ' LYS . 19.5 t80 -81.57 -49.2 10.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.855 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 88' ' ' ILE . 57.0 mtp180 -64.84 -35.02 79.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.76 -34.4 77.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.587 ' HB1' HG13 ' A' ' 76' ' ' VAL . . . -71.96 -37.24 69.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.055 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 24.5 t -56.82 -36.74 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 37.0 ttt180 -70.67 -43.26 69.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.579 HD11 ' CD2' ' A' ' 28' ' ' PHE . 96.3 mt -57.21 -53.99 51.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.642 ' HB2' HG11 ' A' ' 76' ' ' VAL . 59.3 ttt180 -57.83 -42.21 83.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -65.5 -65.55 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.431 ' O ' ' C ' ' A' ' 100' ' ' GLY . 42.4 mt-30 -63.68 -57.73 9.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 103' ' ' VAL . . . -34.95 -46.11 0.61 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 100' ' ' GLY . . . -36.79 -45.64 1.07 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.539 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.08 -39.45 86.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.79 0.329 . . . . 0.0 111.059 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 100' ' ' GLY . 94.6 t -69.17 -46.25 78.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.465 HD13 ' OE2' ' A' ' 69' ' ' GLU . 79.3 mt -70.03 -25.19 63.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 34.5 mtt85 -82.16 -36.37 27.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.842 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -77.32 -13.92 59.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -96.99 -34.49 11.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.048 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -54.6 -41.81 70.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.833 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -64.63 -32.36 73.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -69.35 -51.88 32.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.741 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . . . -56.63 -19.42 16.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -95.49 -47.23 6.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.1 ptmm? -55.12 -21.31 12.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 8.7 mtt -47.05 -56.3 6.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.926 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -93.61 132.23 11.12 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.514 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 99.2 p -47.86 -42.07 25.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.937 0.398 . . . . 0.0 110.875 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 85.96 154.44 23.95 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.53 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.74 92.13 0.51 Allowed 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 122.698 2.266 . . . . 0.0 112.308 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.3 t 63.21 36.28 12.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.0 m 52.86 31.79 11.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.464 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.7 m -54.33 119.83 5.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.921 0.391 . . . . 0.0 110.835 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m 56.1 43.56 26.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.836 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.31 139.75 43.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.512 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -121.45 42.21 3.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.348 . . . . 0.0 110.88 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 m -52.19 -45.28 65.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.784 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.0 -54.9 2.39 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.422 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.805 ' CZ ' HD11 ' A' ' 12' ' ' LEU . 39.5 t80 -49.33 -38.85 29.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.936 0.398 . . . . 0.0 110.894 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.543 ' CD1' ' CE2' ' A' ' 60' ' ' TYR . 22.7 mt -60.23 -47.5 85.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.937 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.491 HD12 ' H ' ' A' ' 10' ' ' ILE . 4.3 mp -61.26 -43.23 96.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.4 tp -54.8 -42.32 71.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.959 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.805 HD11 ' CZ ' ' A' ' 8' ' ' PHE . 75.5 mt -65.04 -56.56 12.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.721 ' CG ' HD21 ' A' ' 57' ' ' LEU . 43.2 mtt180 -47.76 -41.47 23.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.847 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -72.65 -49.43 31.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.955 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.551 HG23 HG12 ' A' ' 103' ' ' VAL . 16.7 m -53.3 -50.61 64.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.521 ' HA ' HD12 ' A' ' 19' ' ' LEU . 9.5 tp -47.71 -43.04 26.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -58.66 -45.89 88.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -53.67 -33.24 54.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 16' ' ' LEU . 38.6 mt -66.67 -46.35 75.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 23' ' ' ASP . 7.3 mt-30 -51.56 -51.49 55.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.965 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' GLN . 19.2 mm-40 -37.56 -47.64 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.426 ' HB2' ' CD2' ' A' ' 96' ' ' LEU . 68.6 mmtt -54.45 -41.81 69.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 20' ' ' GLN . 19.2 t0 -78.75 83.17 4.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.0 p -66.11 -33.78 76.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.196 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.18 -16.29 80.76 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.514 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.7 m120 57.25 38.31 28.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.807 0.337 . . . . 0.0 110.893 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.543 HG21 ' CD1' ' A' ' 89' ' ' PHE . 74.8 mt -71.39 -38.38 68.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.086 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.4 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 4.1 m-85 -92.9 -12.78 30.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -51.92 -17.06 0.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.798 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -138.06 152.05 71.16 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.602 0.715 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 134.69 28.41 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.679 2.253 . . . . 0.0 112.296 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.7 t -57.99 126.17 76.27 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.543 0.687 . . . . 0.0 111.151 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 141.85 46.29 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.615 2.21 . . . . 0.0 112.36 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 73.1 mt -80.76 -26.79 37.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.3 t -47.16 -45.65 22.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.434 ' OE1' HG22 ' A' ' 37' ' ' VAL . 15.2 tm-20 -90.58 -26.61 19.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.894 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.434 HG22 ' OE1' ' A' ' 36' ' ' GLU . 1.8 t -118.24 84.15 21.87 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.57 0.7 . . . . 0.0 111.101 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -19.58 35.92 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.673 2.249 . . . . 0.0 112.374 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -111.89 27.11 9.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -54.48 -58.58 6.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.47 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 27.0 mt -66.15 -41.66 90.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.969 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -38.66 -38.84 0.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 57.2 m-70 -102.34 -31.13 10.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.4 mm -102.1 104.65 16.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -66.45 -43.6 85.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.597 ' HD3' HD11 ' A' ' 74' ' ' LEU . 28.8 tttp -126.81 86.94 57.64 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.519 0.676 . . . . 0.0 110.882 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.47 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 53.8 Cg_endo -69.75 103.98 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.321 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 43.4 tpp -107.97 150.33 27.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.459 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -145.72 -176.11 5.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.901 179.9 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.4 ' CE2' ' HB2' ' A' ' 28' ' ' PHE . 5.3 m-85 -74.24 -32.26 62.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -85.58 -39.68 17.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.6 m -60.84 -47.75 84.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.094 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.481 ' CE ' HD13 ' A' ' 16' ' ' LEU . 21.8 ptm -58.53 -43.23 89.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.915 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.461 ' HD3' ' CD2' ' A' ' 16' ' ' LEU . 28.7 tptt -54.87 -53.04 60.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.915 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -46.88 -48.1 21.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -67.26 -38.66 85.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.721 HD21 ' CG ' ' A' ' 13' ' ' ARG . 1.6 tt -61.67 -45.66 93.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.926 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.501 ' N ' HD23 ' A' ' 57' ' ' LEU . 48.7 mt-10 -66.92 -24.08 66.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.413 ' HB3' ' HG3' ' A' ' 61' ' ' ARG . . . -84.25 12.96 5.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.091 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.543 ' CE2' ' CD1' ' A' ' 9' ' ' LEU . 9.6 m-85 57.39 42.0 25.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.413 ' HG3' ' HB3' ' A' ' 59' ' ' ALA . 43.7 mtt180 -91.71 -26.17 18.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -101.97 104.54 15.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.984 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.6 mt -102.22 -26.89 13.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -117.07 137.37 52.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -45.78 -40.09 9.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.815 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -51.37 -36.63 44.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -71.14 -52.22 20.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.523 ' CG ' HD22 ' A' ' 12' ' ' LEU . 51.8 t80 -59.14 -31.49 69.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.74 ' OE2' HD13 ' A' ' 104' ' ' LEU . 9.3 tp10 -72.81 -51.45 18.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -43.3 -57.11 3.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.73 -62.15 1.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.797 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.511 ' HA ' HD12 ' A' ' 75' ' ' ILE . 6.2 t80 -45.5 -49.67 13.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -50.56 -53.07 33.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.597 HD11 ' HD3' ' A' ' 46' ' ' LYS . 21.9 mt -47.74 -49.87 27.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.511 HD12 ' HA ' ' A' ' 72' ' ' PHE . 95.0 mt -43.05 -39.82 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.073 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.633 HG13 ' HB1' ' A' ' 93' ' ' ALA . 94.6 t -84.43 -51.56 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 78' ' ' ASN . 19.8 m -51.91 -70.41 0.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.772 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 77' ' ' SER . 83.8 m-20 -34.68 -41.18 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 3.5 t -71.41 -48.74 47.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.543 ' CD1' HG12 ' A' ' 76' ' ' VAL . 50.2 mt -66.78 -10.72 50.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -99.32 -32.48 11.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.945 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -76.03 -64.55 1.07 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.669 ' HB3' HG21 ' A' ' 87' ' ' THR . 2.1 m-80 -99.86 -176.21 3.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.901 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.643 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -122.4 -179.44 4.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.095 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.471 ' HG3' ' CE1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -49.25 -37.01 21.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -47.58 -61.97 1.67 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.669 HG21 ' HB3' ' A' ' 83' ' ' ASN . 74.3 p -52.28 173.22 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.1 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 90' ' ' TYR . 5.9 mt -88.53 -63.0 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.543 ' CD1' HG21 ' A' ' 27' ' ' ILE . 0.7 OUTLIER -37.92 -26.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.939 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.643 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 4.9 t80 -69.14 -59.5 2.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 30.5 mtt-85 -59.32 -37.79 78.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.824 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.67 -44.93 95.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.633 ' HB1' HG13 ' A' ' 76' ' ' VAL . . . -64.46 -40.27 95.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 13.5 t -50.45 -49.52 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.433 ' NE ' ' NE2' ' A' ' 99' ' ' GLN . 14.0 ttm180 -61.63 -55.11 34.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.426 ' CD2' ' HB2' ' A' ' 22' ' ' LYS . 30.0 mt -46.05 -48.46 16.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.436 ' HB2' HG11 ' A' ' 76' ' ' VAL . 38.7 ttt85 -59.3 -39.62 83.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.79 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -73.36 -65.23 0.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.433 ' NE2' ' NE ' ' A' ' 95' ' ' ARG . 61.4 mt-30 -63.11 -57.71 9.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -41.81 -37.67 2.12 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.51 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -46.29 -41.94 12.37 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.514 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.52 -31.19 67.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 0.0 111.156 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.551 HG12 HG23 ' A' ' 15' ' ' THR . 98.9 t -72.58 -41.86 63.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.74 HD13 ' OE2' ' A' ' 69' ' ' GLU . 32.4 mt -75.49 -17.77 60.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -86.96 -39.59 15.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -75.95 -22.07 56.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -89.44 -30.66 18.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.074 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -57.17 -44.34 83.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.833 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -54.45 -32.91 58.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' A' ' 112' ' ' GLU . 7.7 mt-30 -70.97 -65.21 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.945 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -39.99 -24.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.061 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 110' ' ' GLN . 12.9 mt-10 -86.04 -41.56 14.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 110' ' ' GLN . 0.0 OUTLIER -71.1 -32.17 68.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.944 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 8.0 mmt -39.47 -50.09 2.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.823 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -171.01 146.03 9.35 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.532 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 91.0 p -144.37 113.33 6.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.917 0.389 . . . . 0.0 110.86 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -144.6 168.36 26.82 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 98.43 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.672 2.248 . . . . 0.0 112.317 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 97.3 p -92.2 129.87 38.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.795 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.4 t -83.52 113.7 20.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.509 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -61.82 82.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.854 0.359 . . . . 0.0 110.833 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.9 p -67.64 107.95 2.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.63 -114.26 0.41 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.485 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 m -105.74 95.62 5.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.351 . . . . 0.0 110.946 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 9' ' ' LEU . 1.7 p -72.38 -57.76 3.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -35.83 -45.1 0.77 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.527 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.615 ' CE2' HD11 ' A' ' 12' ' ' LEU . 72.4 t80 -56.54 -42.69 78.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.914 0.387 . . . . 0.0 110.877 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.766 HD11 ' CE2' ' A' ' 60' ' ' TYR . 82.7 mt -53.45 -55.61 23.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.518 HD12 ' H ' ' A' ' 10' ' ' ILE . 3.8 mp -47.85 -47.52 12.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.534 ' CD2' ' HB2' ' A' ' 111' ' ' ALA . 66.9 tp -49.57 -39.58 35.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.615 HD11 ' CE2' ' A' ' 8' ' ' PHE . 24.4 mt -75.94 -39.75 55.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.647 ' HG2' HD21 ' A' ' 57' ' ' LEU . 22.1 mtm180 -66.25 -31.27 71.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -88.47 -31.59 18.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.401 ' N ' ' HG3' ' A' ' 14' ' ' LYS . 16.8 m -72.67 -42.34 64.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.178 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.453 ' HA ' HD12 ' A' ' 19' ' ' LEU . 37.7 tp -55.32 -39.44 69.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.945 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -65.87 -44.17 86.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.493 HE22 ' NE2' ' A' ' 106' ' ' GLN . 30.9 mt-30 -53.84 -41.44 67.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 16' ' ' LEU . 24.9 mt -59.37 -49.08 79.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 23' ' ' ASP . 11.2 mt-30 -46.51 -49.04 19.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -37.96 -44.62 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.55 ' HB2' HD23 ' A' ' 96' ' ' LEU . 25.0 mmtm -59.59 -41.38 90.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 20' ' ' GLN . 33.5 t0 -77.68 98.2 5.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.7 p -85.11 -32.45 22.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.93 -13.24 81.59 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.546 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.4 m120 56.09 42.57 28.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.839 0.352 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.9 mt -75.83 -36.03 31.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -98.33 -10.87 23.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -52.85 -19.57 2.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -130.37 152.53 80.4 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.565 0.697 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -179.11 2.67 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.684 2.256 . . . . 0.0 112.323 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.3 t -116.48 123.56 30.47 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.627 0.727 . . . . 0.0 111.139 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 112.01 2.96 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.647 2.231 . . . . 0.0 112.389 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.7 mt -59.18 -32.71 70.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.96 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.1 m -55.1 -30.95 60.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -93.42 -34.6 13.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.408 ' CG1' ' OH ' ' A' ' 82' ' ' TYR . 1.2 t -120.38 84.83 35.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.56 0.695 . . . . 0.0 111.127 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -34.32 14.82 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.617 2.211 . . . . 0.0 112.309 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -79.0 3.87 16.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -51.5 -64.04 0.94 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 42' ' ' ASP . 24.6 mt -67.12 -40.52 86.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 41' ' ' LEU . 4.7 t70 -37.95 -32.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -111.68 -33.97 6.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.449 HD12 ' HA ' ' A' ' 78' ' ' ASN . 6.8 mm -86.62 124.08 40.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -79.76 -51.19 9.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.007 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.704 ' O ' HD22 ' A' ' 74' ' ' LEU . 11.1 tptm -130.91 91.36 36.95 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.569 0.7 . . . . 0.0 110.903 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 160.74 48.57 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.701 2.268 . . . . 0.0 112.342 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.489 ' HB2' HD12 ' A' ' 74' ' ' LEU . 35.6 tpp -168.85 165.62 11.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.893 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -158.29 169.71 23.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -62.07 -36.48 81.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.45 ' CD2' ' N ' ' A' ' 52' ' ' THR . 2.7 t80 -75.92 -60.51 2.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.828 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.45 ' N ' ' CD2' ' A' ' 51' ' ' PHE . 12.3 m -44.41 -56.64 4.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.466 ' HG3' ' N ' ' A' ' 54' ' ' LYS . 14.1 ptm -50.58 -45.77 57.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.466 ' N ' ' HG3' ' A' ' 53' ' ' MET . 0.2 OUTLIER -51.96 -49.77 62.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -52.8 -49.78 64.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -60.75 -39.58 89.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.647 HD21 ' HG2' ' A' ' 13' ' ' ARG . 5.9 tt -61.62 -45.11 95.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -66.34 -23.37 66.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.405 ' HB3' ' HG3' ' A' ' 61' ' ' ARG . . . -87.86 13.33 10.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.179 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.766 ' CE2' HD11 ' A' ' 9' ' ' LEU . 6.0 m-85 57.31 42.69 24.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.405 ' HG3' ' HB3' ' A' ' 59' ' ' ALA . 59.0 mtt180 -90.8 -25.92 19.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -102.58 109.8 21.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.98 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.6 mt -109.17 -24.16 11.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -120.52 133.8 55.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.438 ' O ' ' C ' ' A' ' 66' ' ' ASP . 7.4 t80 -42.12 -55.71 3.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 65' ' ' PHE . 0.9 OUTLIER -35.46 -47.51 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.858 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.48 -56.4 14.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.507 ' CG ' HD22 ' A' ' 12' ' ' LEU . 67.2 t80 -52.31 -24.44 7.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -88.39 -42.14 12.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -51.23 -46.4 62.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -59.73 -47.85 84.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -60.97 -39.16 88.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -50.9 -50.79 56.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.704 HD22 ' O ' ' A' ' 46' ' ' LYS . 22.0 mt -44.17 -60.88 1.69 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.437 ' C ' ' O ' ' A' ' 74' ' ' LEU . 44.6 mt -33.43 -37.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.699 HG11 ' HB2' ' A' ' 97' ' ' ARG . 47.3 t -89.1 -38.79 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 74' ' ' LEU . 25.9 t -66.94 -73.84 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.474 ' ND2' ' HB3' ' A' ' 74' ' ' LEU . 5.1 p30 -40.17 -41.93 1.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.4 t -68.32 -47.56 67.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.544 HD12 HG12 ' A' ' 76' ' ' VAL . 29.0 mt -62.31 -22.71 66.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -89.87 -61.9 1.59 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.408 ' OH ' ' CG1' ' A' ' 37' ' ' VAL . 2.6 t80 -43.13 -58.52 2.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.847 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.429 ' HB3' HG21 ' A' ' 87' ' ' THR . 5.9 m-80 -107.28 176.0 5.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.586 ' HA ' ' CD2' ' A' ' 90' ' ' TYR . . . -123.07 166.4 15.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.078 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.566 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -38.65 -39.78 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -46.74 -48.03 20.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.429 HG21 ' HB3' ' A' ' 83' ' ' ASN . 51.2 p -70.76 171.02 11.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.507 ' O ' ' N ' ' A' ' 90' ' ' TYR . 1.7 mt -82.67 -60.93 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.155 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.479 ' N ' HG22 ' A' ' 88' ' ' ILE . 0.6 OUTLIER -38.75 -25.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.911 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.586 ' CD2' ' HA ' ' A' ' 84' ' ' ALA . 6.7 t80 -71.14 -58.58 3.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -52.97 -48.3 67.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.21 -40.07 67.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.74 -40.66 92.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 83.1 t -58.92 -41.89 84.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.118 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 18.0 ttp180 -62.93 -58.38 7.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.817 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.55 HD23 ' HB2' ' A' ' 22' ' ' LYS . 39.1 mt -47.0 -50.61 18.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.968 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.699 ' HB2' HG11 ' A' ' 76' ' ' VAL . 21.9 ttt-85 -55.04 -36.08 65.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -78.47 -64.61 1.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -63.48 -54.75 31.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -41.87 -35.83 1.65 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.474 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -47.78 -44.13 23.63 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.462 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.03 -34.5 74.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 0.0 111.081 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.8 t -69.31 -46.1 77.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 54.7 mt -74.69 -17.58 60.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -85.5 -40.27 16.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.493 ' NE2' HE22 ' A' ' 18' ' ' GLN . 10.5 pt20 -73.0 -28.29 62.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -86.6 -31.71 21.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -56.32 -48.79 76.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -54.59 -33.54 60.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -65.04 -63.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.849 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.534 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . . . -43.74 -23.05 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.072 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -91.32 -44.82 8.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -20.29 62.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.512 ' HE3' ' HA ' ' A' ' 8' ' ' PHE . 17.0 mtt -47.97 -51.7 22.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.857 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -133.05 134.15 7.39 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.6 m -116.69 -53.43 2.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.908 0.385 . . . . 0.0 110.804 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 178.74 -85.26 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.511 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 100.04 0.79 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.67 2.247 . . . . 0.0 112.323 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.4 m -39.78 159.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.874 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 20.7 t -144.15 143.39 31.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.818 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.239 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.463 179.952 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.8 p -116.48 -46.79 2.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.886 0.374 . . . . 0.0 110.795 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.0 m -52.92 164.49 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.828 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.27 -154.7 6.37 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.526 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m 65.68 42.68 3.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.896 0.379 . . . . 0.0 110.87 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 9' ' ' LEU . 18.6 p -45.62 -56.15 5.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -35.64 -43.45 0.57 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.512 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.478 ' CZ ' HD11 ' A' ' 12' ' ' LEU . 18.6 t80 -64.21 -45.69 87.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.902 0.382 . . . . 0.0 110.903 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 6' ' ' SER . 82.7 mt -51.38 -40.17 58.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.429 HD12 ' O ' ' A' ' 6' ' ' SER . 4.0 mp -63.82 -44.34 98.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.678 HD23 ' HB2' ' A' ' 111' ' ' ALA . 60.2 tp -50.21 -35.48 26.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.656 ' HB3' HD12 ' A' ' 57' ' ' LEU . 9.8 mp -73.17 -49.63 27.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.969 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.858 ' HG2' HD21 ' A' ' 57' ' ' LEU . 15.6 mtm105 -57.82 -44.08 86.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.25 -35.8 66.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.2 m -69.21 -37.36 78.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.744 HD23 ' HD3' ' A' ' 54' ' ' LYS . 37.3 tp -58.84 -38.07 77.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -69.22 -41.73 76.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -55.56 -35.02 65.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.939 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.663 HD13 ' CD2' ' A' ' 72' ' ' PHE . 31.4 mt -70.9 -38.58 73.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 23' ' ' ASP . 8.5 mm-40 -57.8 -40.71 80.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.936 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -43.49 -25.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.0 mmtt -79.51 -36.41 38.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 20' ' ' GLN . 0.7 OUTLIER -64.5 119.38 10.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.901 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.4 p -113.68 -41.01 3.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.135 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.438 ' O ' ' CG ' ' A' ' 26' ' ' ASN . . . -80.1 6.47 59.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.53 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.438 ' CG ' ' O ' ' A' ' 25' ' ' GLY . 2.4 p-10 46.26 41.56 9.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.81 0.338 . . . . 0.0 110.9 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.583 HD13 ' HD1' ' A' ' 89' ' ' PHE . 72.3 mt -85.94 -37.09 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.572 ' CD1' HD11 ' A' ' 96' ' ' LEU . 1.8 m-85 -99.35 -15.1 18.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.09 -10.05 13.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -142.94 151.95 57.51 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-O 121.642 0.734 . . . . 0.0 110.792 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 140.49 42.82 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.641 2.228 . . . . 0.0 112.382 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.1 t -70.65 122.38 86.5 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.611 0.72 . . . . 0.0 111.181 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 144.54 54.47 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.718 2.279 . . . . 0.0 112.336 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.3 mt -82.93 -26.9 30.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.991 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.7 m -46.04 -43.61 14.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -92.1 -20.51 21.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.8 t -126.24 84.82 61.03 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.596 0.713 . . . . 0.0 111.102 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.82 -18.69 36.57 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.63 2.22 . . . . 0.0 112.343 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -114.95 30.48 7.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.841 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -57.16 -60.11 4.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.918 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.422 ' CD2' ' HG3' ' A' ' 47' ' ' PRO . 19.2 mt -65.62 -39.8 91.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.95 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 41' ' ' LEU . 0.9 OUTLIER -37.88 -33.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.8 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.475 ' HB2' ' CE1' ' A' ' 82' ' ' TYR . 54.2 m-70 -106.94 -32.29 7.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.449 HD12 ' CB ' ' A' ' 78' ' ' ASN . 19.3 mm -99.59 124.12 52.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.156 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.421 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 6.8 mptt -83.73 -38.02 21.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.847 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.5 mtpt -129.94 88.08 49.87 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.581 0.705 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.422 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 53.9 Cg_endo -69.76 89.23 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.728 2.285 . . . . 0.0 112.316 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 25.9 tpp -94.52 156.03 16.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.924 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -153.86 178.11 10.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.464 ' CE2' ' HB2' ' A' ' 28' ' ' PHE . 3.4 m-85 -69.97 -37.93 75.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -83.8 -34.73 24.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 55.7 m -66.78 -60.51 2.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.115 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.433 ' SD ' HD13 ' A' ' 16' ' ' LEU . 3.0 ppp? -50.27 -32.51 17.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.744 ' HD3' HD23 ' A' ' 16' ' ' LEU . 20.7 tptm -65.17 -40.05 93.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -59.58 -48.38 81.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -61.63 -36.17 80.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.843 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.858 HD21 ' HG2' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -63.5 -42.14 98.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.633 ' N ' HD23 ' A' ' 57' ' ' LEU . 47.1 mt-10 -72.98 -11.83 60.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -98.74 18.33 17.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 53.89 44.56 29.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.945 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 37.7 mtt180 -96.7 -24.84 15.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.519 ' CZ ' ' OD2' ' A' ' 71' ' ' ASP . 18.5 m-85 -107.17 96.99 6.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.7 mt -95.56 -27.93 15.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -113.92 148.24 37.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -56.65 -43.57 80.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -51.3 -32.44 24.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -72.95 -58.65 3.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.821 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.514 ' CG ' ' HG ' ' A' ' 12' ' ' LEU . 76.9 t80 -51.97 -47.67 64.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -58.83 -49.25 78.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -44.06 -55.28 4.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.519 ' OD2' ' CZ ' ' A' ' 62' ' ' TYR . 2.1 m-20 -47.01 -57.88 4.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.833 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.663 ' CD2' HD13 ' A' ' 19' ' ' LEU . 23.7 t80 -50.13 -50.02 50.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.904 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -48.21 -51.41 25.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 75' ' ' ILE . 33.2 mt -50.5 -60.54 2.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.438 ' C ' ' O ' ' A' ' 74' ' ' LEU . 77.1 mt -34.03 -39.38 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.607 HG11 ' HB2' ' A' ' 97' ' ' ARG . 85.9 t -83.12 -46.19 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.165 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 80' ' ' LEU . 14.8 t -58.36 -68.24 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.449 ' CB ' HD12 ' A' ' 44' ' ' ILE . 3.3 p30 -40.05 -38.54 0.74 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.823 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.9 t -74.35 -36.27 63.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.837 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.531 HD12 HG12 ' A' ' 76' ' ' VAL . 88.8 mt -81.31 -10.04 59.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.9 ptmt -103.57 -30.13 10.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.475 ' CE1' ' HB2' ' A' ' 43' ' ' HIS . 4.9 t80 -82.42 -50.78 8.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -100.97 -177.74 3.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.955 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.578 ' C ' ' CD2' ' A' ' 90' ' ' TYR . . . -128.6 173.21 10.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.493 ' HA ' ' CD1' ' A' ' 90' ' ' TYR . 33.3 mttm -49.85 -48.32 51.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.946 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -41.32 -57.36 2.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 72.1 p -55.52 179.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.521 ' O ' ' N ' ' A' ' 90' ' ' TYR . 6.8 mt -93.58 -62.8 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.583 ' HD1' HD13 ' A' ' 27' ' ' ILE . 0.7 OUTLIER -37.38 -27.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.578 ' CD2' ' C ' ' A' ' 84' ' ' ALA . 9.2 t80 -71.39 -57.79 4.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -58.08 -37.16 73.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.934 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.34 -40.66 89.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.32 -40.95 94.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.059 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 11.7 t -53.73 -51.35 44.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -57.07 -52.93 63.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.572 HD11 ' CD1' ' A' ' 28' ' ' PHE . 37.0 mt -45.98 -51.44 13.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.607 ' HB2' HG11 ' A' ' 76' ' ' VAL . 52.4 ttt85 -58.97 -37.86 77.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -72.22 -66.61 0.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -63.81 -53.62 47.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.851 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 96' ' ' LEU . . . -45.6 -38.27 7.23 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.461 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -46.56 -35.09 7.1 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.472 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.82 -36.16 81.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.814 0.34 . . . . 0.0 111.112 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 69.7 t -67.34 -42.98 88.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.144 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 80.5 mt -74.86 -31.78 61.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.998 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 34.7 mtm180 -72.62 -34.07 67.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.419 ' HA ' ' NE ' ' A' ' 109' ' ' ARG . 11.1 pt20 -80.32 -26.57 38.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.956 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.437 ' O ' HD21 ' A' ' 11' ' ' LEU . . . -87.89 -25.77 23.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.037 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 61.2 ttt-85 -56.66 -49.36 75.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.419 ' NE ' ' HA ' ' A' ' 106' ' ' GLN . 18.2 ptp180 -53.35 -33.68 54.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.935 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -66.48 -55.03 17.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.958 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.678 ' HB2' HD23 ' A' ' 11' ' ' LEU . . . -55.25 -14.06 1.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -100.25 -44.48 5.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.5 ptmm? -56.61 -30.46 63.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.461 ' HE3' ' HA ' ' A' ' 8' ' ' PHE . 8.2 mtt -43.87 -57.8 3.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.825 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 145.54 108.61 0.58 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.566 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 58.3 m -140.58 135.09 31.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.899 0.38 . . . . 0.0 110.865 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -124.06 -76.13 0.3 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.477 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -2.18 9.76 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.669 2.246 . . . . 0.0 112.312 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.2 t -81.35 -51.1 8.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.953 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 69.8 m -46.63 -61.14 1.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.865 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.567 -179.952 . . . . . . . . 0 0 . 1 stop_ save_