data_2n7q_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 2n7q _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.7 mttp . . . . . 0 CA--C 1.526 0.045 0 CA-C-O 120.861 0.362 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -57.52 -40.62 79.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.577 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.2 mt -65.44 -44.21 88.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.59 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -60.19 -41.99 94.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.447 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.2 mt -62.38 -44.8 95.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.584 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 54.5 mt -61.18 -44.23 97.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.565 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.4 m -60.2 -43.06 96.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.507 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.2 -36.5 84.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.547 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 63.4 m -59.69 -42.78 93.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.511 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 82.1 t -66.31 -42.88 91.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.573 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.11 -46.42 91.55 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -63.32 -38.96 93.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.736 0.303 . . . . 0.0 110.666 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.15 -40.26 97.89 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.4 mt -62.64 -42.9 97.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.709 0.29 . . . . 0.0 110.357 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mt -60.33 -42.86 96.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.484 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 89.3 mt -56.95 -53.74 38.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.485 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -57.3 -49.3 76.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.553 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.91 -43.45 69.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.52 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.65 -49.46 75.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.532 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.407 ' O ' ' SG ' ' A' ' 26' ' ' CYS . 43.6 mt -59.8 -27.0 37.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.722 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.8 t -74.61 -50.16 27.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.592 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 91.2 m -67.76 -32.54 73.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.401 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.491 ' CD1' ' C ' ' A' ' 25' ' ' TYR . 11.6 t80 -65.23 -46.46 80.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.412 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 22' ' ' ILE . 97.3 m -61.13 -39.45 90.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.398 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.8 mt -68.51 -42.26 83.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.418 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -56.45 -41.4 76.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.374 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.27 -43.15 78.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.568 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -53.82 -45.93 70.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.67 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.31 -43.72 97.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.705 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.72 -179.805 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.744 0.306 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -60.86 -40.03 91.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.439 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.412 ' N ' ' CD1' ' A' ' 5' ' ' LEU . 10.7 mp -62.83 -42.74 99.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.525 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -63.28 -44.57 94.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.636 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.7 mt -60.31 -47.77 84.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.561 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.7 mm -60.2 -46.07 95.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.693 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.1 m -57.24 -47.07 82.3 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.518 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mp -57.28 -41.92 80.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.582 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 51.7 m -65.34 -42.49 92.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.445 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.8 t -57.7 -48.27 83.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.495 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.97 -39.09 95.14 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -65.31 -39.73 92.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.906 0.384 . . . . 0.0 110.546 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.65 -43.17 96.78 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 63.7 mt -67.32 -34.29 68.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.747 0.308 . . . . 0.0 110.366 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 tp -64.05 -39.49 94.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.391 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.7 mt -63.5 -51.27 72.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.497 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.39 -49.17 77.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.665 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.2 m -58.74 -39.8 81.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.508 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 49.9 tp -61.22 -50.99 70.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.409 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.5 mt -61.76 -28.04 43.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.602 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 89.5 t -74.43 -51.14 23.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.426 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.3 m -61.58 -30.85 70.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.188 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -66.95 -51.89 49.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.679 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 68.3 m -55.66 -35.66 66.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.405 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.3 mm -69.38 -49.5 59.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.64 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -55.06 -38.71 68.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.401 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.43 -46.66 79.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.574 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -61.74 -27.34 68.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.713 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.42 -40.77 16.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.75 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.417 179.925 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.813 0.339 . . . . 0.0 110.598 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -66.18 -52.41 48.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.561 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.6 mt -58.21 -35.33 71.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.524 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.5 -48.04 81.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.546 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.0 mt -60.46 -46.03 91.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.687 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.31 -39.25 80.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.41 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.7 m -61.64 -47.12 86.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.524 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.9 -50.72 72.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.68 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 42.2 m -54.66 -44.42 73.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.476 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.0 t -62.21 -45.36 98.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.471 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.08 -34.87 90.4 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -68.99 -43.02 75.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.75 0.31 . . . . 0.0 110.493 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.58 -35.48 91.87 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 80.4 mt -71.91 -39.88 67.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.727 0.299 . . . . 0.0 110.407 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.11 -35.77 74.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.395 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 76.0 mt -68.75 -51.72 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.441 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.73 -42.0 74.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.534 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.4 t -63.2 -39.74 95.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.506 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.25 -53.16 60.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.513 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.4 mt -58.48 -31.42 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.762 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.37 -49.89 62.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.472 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.0 m -66.87 -31.34 71.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.266 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -66.36 -45.71 79.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.706 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 93.7 m -60.37 -44.75 95.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.589 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 83.6 mt -58.4 -41.9 82.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.474 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -65.15 -46.55 80.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.6 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.64 -41.19 69.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.442 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -63.83 -46.69 83.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.637 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.47 -39.59 91.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.611 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.634 -179.926 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.797 0.332 . . . . 0.0 110.48 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.92 -45.58 94.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.479 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.469 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 4.3 mm? -62.63 -39.21 93.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.486 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.3 -46.2 90.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.518 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.7 mt -57.42 -42.28 82.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.577 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 90.8 mt -65.29 -43.54 95.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.649 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 82.0 m -58.31 -48.34 80.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.396 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.64 -37.55 86.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.471 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 61.3 m -52.59 -49.57 64.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.54 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.6 t -64.0 -42.85 97.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.644 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.52 -40.28 97.55 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -65.65 -40.2 92.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.321 . . . . 0.0 110.523 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.67 -39.02 97.1 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 97.5 mt -68.12 -41.72 84.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.738 0.304 . . . . 0.0 110.412 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 tt -56.89 -42.25 79.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.508 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.0 mt -62.12 -53.59 45.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.43 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.26 -45.1 76.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.507 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.8 t -54.97 -48.34 73.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.714 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.1 tt -64.89 -49.19 71.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.4 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 mm -53.84 -30.73 19.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.726 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 78.9 t -72.48 -52.37 23.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.395 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 88.1 m -62.47 -30.96 71.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.159 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -69.45 -49.84 51.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.598 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 59.7 m -57.99 -35.99 72.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.526 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 65.0 mt -70.63 -48.65 57.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.546 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -49.67 -40.87 41.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.45 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.41 -48.25 67.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.432 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.8 mmtt -53.17 -33.27 51.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.652 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.28 -49.89 11.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.741 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.484 179.875 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.8 tttm . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.804 0.335 . . . . 0.0 110.557 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -58.89 -44.1 91.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.319 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.5 mt -65.6 -45.49 82.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.551 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -57.77 -50.88 71.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.656 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.8 mt -54.64 -45.91 73.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.529 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.6 mm -60.51 -52.99 55.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.632 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.8 m -54.41 -37.23 64.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.452 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 mt -69.02 -50.1 51.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.596 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.6 m -51.12 -42.38 60.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.486 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.0 t -67.2 -41.92 87.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.608 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.14 -35.8 92.57 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -65.28 -48.35 73.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.805 0.336 . . . . 0.0 110.486 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.2 -33.79 88.21 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.416 ' O ' ' OG ' ' A' ' 20' ' ' SER . 3.0 mm -72.22 -38.85 63.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.748 0.309 . . . . 0.0 110.417 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.48 -41.8 94.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.282 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.8 mt -63.62 -50.61 77.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.227 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -60.25 -47.57 85.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.399 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' A' ' 16' ' ' ILE . 8.0 m -53.48 -38.08 63.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.659 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.1 -54.21 23.54 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.596 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.0 mt -52.95 -29.43 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.491 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 75.2 t -74.43 -51.78 21.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.652 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 49.6 m -61.28 -31.47 71.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.331 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.447 ' CD1' ' C ' ' A' ' 25' ' ' TYR . 20.4 t80 -67.76 -48.52 66.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.561 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.5 m -56.37 -39.3 72.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.472 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 80.5 mt -69.26 -48.64 67.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.561 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -49.28 -38.36 26.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.664 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.64 -53.03 12.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.622 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -53.61 -24.63 14.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.448 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.69 -41.51 13.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.401 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.536 -179.946 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.6 tttp . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.839 0.352 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.28 -42.52 86.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.467 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.5 mt -63.51 -47.94 79.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.539 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -56.72 -35.71 68.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.605 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.7 mt -69.39 -47.56 63.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.665 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.7 mt -61.64 -39.91 84.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.54 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 91.1 m -61.81 -48.23 81.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.575 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 mp -56.43 -44.58 80.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.616 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.7 m -56.47 -50.99 70.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.602 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.8 t -56.85 -44.44 82.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.58 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.58 -44.11 97.08 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -65.93 -40.37 91.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.751 0.31 . . . . 0.0 110.523 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.66 -42.74 99.43 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 57.2 mt -68.81 -40.66 81.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.712 0.292 . . . . 0.0 110.43 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.7 -39.44 73.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.648 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.6 mt -64.9 -52.53 52.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.494 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -59.92 -38.38 82.18 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.587 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 t -62.08 -43.07 99.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.612 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.1 tp -63.09 -48.52 78.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.558 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.0 mt -59.29 -31.1 45.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.576 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.3 t -74.26 -51.19 24.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.519 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.8 m -61.9 -31.71 72.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.191 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -66.07 -46.85 76.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.45 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 98.9 m -57.09 -43.44 82.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.614 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 97.3 mt -61.19 -50.27 81.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.541 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.6 m-20 -59.34 -44.83 92.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.53 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.31 -50.21 67.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.567 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.9 mmtm -63.04 -42.3 99.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.622 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.58 -39.26 91.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.61 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.49 179.808 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 72.7 mttt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.848 0.356 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -61.62 -53.48 55.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.586 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.411 ' N ' ' CD1' ' A' ' 5' ' ' LEU . 10.8 mp -57.07 -38.31 73.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.561 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -67.92 -44.68 76.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.659 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.1 mt -55.71 -43.84 76.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.545 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.8 mt -63.19 -45.81 97.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.525 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 96.0 m -59.47 -40.07 85.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.506 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.3 -42.12 88.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.54 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 51.8 m -58.93 -38.55 79.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.53 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 96.4 t -66.06 -45.7 89.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.507 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.61 -38.44 93.72 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -66.42 -44.77 81.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.785 0.326 . . . . 0.0 110.636 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.04 -38.46 93.01 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 73.3 mt -67.72 -43.51 86.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.71 0.29 . . . . 0.0 110.488 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.16 -40.13 70.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.526 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 91.2 mt -62.45 -53.53 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.506 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.57 -45.16 85.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.611 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.24 -37.08 79.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.653 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.62 -53.11 59.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.495 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 83.4 mt -58.24 -31.58 42.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.722 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.8 t -71.93 -49.5 44.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.632 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 54.2 m -64.96 -30.71 71.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.247 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.415 ' CD1' ' C ' ' A' ' 25' ' ' TYR . 30.1 t80 -65.85 -49.12 69.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.565 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 65.5 m -59.24 -45.77 90.28 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.622 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.6 mt -58.02 -41.39 80.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.589 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -69.35 -41.17 76.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.604 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.92 -38.69 67.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.517 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -73.71 -44.48 56.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.778 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.59 -27.67 58.57 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.471 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.54 179.93 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.1 tttp . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.807 0.337 . . . . 0.0 110.745 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -59.4 -54.0 51.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.782 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 mt -62.45 -34.47 76.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.511 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -57.68 -52.39 65.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.498 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.6 mt -59.81 -40.97 90.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.537 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.1 mm -57.74 -49.5 80.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.641 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.7 m -63.36 -41.84 98.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.51 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 mt -58.89 -50.62 73.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.546 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 56.5 m -58.24 -43.96 88.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.76 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 72.2 t -58.78 -47.72 88.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.532 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.72 -38.42 95.12 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -59.61 -52.24 66.4 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.016 -0.274 . . . . 0.0 110.331 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.76 -42.8 96.61 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.2 mt -63.21 -46.07 96.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.914 0.388 . . . . 0.0 110.68 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mp -55.62 -39.3 70.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.579 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 56.7 mt -66.57 -53.43 35.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.643 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.35 -42.07 81.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.634 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.28 -38.89 84.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.427 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 tt -67.35 -52.0 45.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.5 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 83.0 mt -53.89 -29.45 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.62 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.6 t -74.11 -49.86 31.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.333 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 92.8 m -61.76 -32.57 72.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.249 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -65.45 -48.4 72.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.7 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 85.7 m -56.37 -48.21 77.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.265 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.8 mm -57.18 -50.08 77.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.243 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -51.91 -45.27 64.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.636 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.67 -45.48 89.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.475 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.69 -31.45 70.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.466 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.84 -37.12 27.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.576 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.718 -179.897 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.714 0.293 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -57.69 -41.35 81.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.485 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 mt -71.58 -37.26 71.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.5 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -61.91 -43.63 98.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.524 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.7 mt -67.61 -43.83 79.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.582 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.4 mm -55.89 -52.99 43.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.554 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 95.6 m -55.18 -43.47 74.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.581 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 mp -61.85 -43.93 97.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.604 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.0 m -57.22 -45.01 84.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.565 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.5 t -66.81 -45.87 86.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.52 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.13 -33.34 74.34 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -71.89 -46.37 58.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.782 0.325 . . . . 0.0 110.502 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.49 -36.68 92.93 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 56.3 mt -71.16 -36.01 60.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.788 0.328 . . . . 0.0 110.545 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 tp -60.33 -43.84 96.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.538 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 45.4 mt -63.23 -49.42 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.474 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -58.97 -45.2 91.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.49 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 p -58.31 -43.58 88.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.508 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.0 tt -59.54 -50.34 74.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.534 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.2 mm -58.11 -30.58 39.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.557 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.1 t -74.07 -52.91 18.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.531 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 49.9 m -59.68 -32.14 70.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.565 179.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -66.07 -48.64 70.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.545 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 91.3 m -58.51 -36.22 73.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.562 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.6 mm -64.56 -43.58 96.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.551 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.408 ' N ' HD21 ' A' ' 28' ' ' ASN . 1.0 OUTLIER -61.92 -41.66 98.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.506 -179.868 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.51 -45.53 83.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.559 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -61.17 -26.84 67.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.567 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.69 -36.28 16.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.609 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.624 179.863 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.8 mttt . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.787 0.327 . . . . 0.0 110.7 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -56.84 -40.66 76.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.518 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.3 mt -63.77 -32.33 73.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.678 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -65.54 -48.14 73.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.605 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.7 mp -66.87 -41.11 87.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.625 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.8 mm -55.22 -51.6 53.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.74 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 63.9 m -63.52 -41.47 98.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.445 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.69 -40.78 84.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.712 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.7 m -63.66 -46.54 85.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.589 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 56.4 t -56.76 -43.6 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.398 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.73 -37.23 94.09 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -64.75 -48.45 74.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.718 0.294 . . . . 0.0 110.515 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.56 -44.57 90.74 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 90.7 mt -63.17 -40.67 89.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.764 0.316 . . . . 0.0 110.436 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 tp -58.86 -41.44 87.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.517 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 90.5 mt -62.11 -54.25 36.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.649 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -54.57 -47.79 72.84 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.506 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.32 -45.89 69.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.463 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.49 -44.94 96.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.573 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.3 mm -62.65 -36.55 75.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.838 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.5 t -69.82 -51.58 39.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.356 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.436 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 85.2 m -61.29 -31.07 70.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.205 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' A' ' 25' ' ' TYR . 26.7 t80 -72.1 -46.68 55.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.574 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 85.4 m -55.24 -35.39 64.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.509 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 57.0 mt -71.62 -50.34 40.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.531 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.436 ' OD1' ' O ' ' A' ' 24' ' ' THR . 29.4 m120 -57.65 -30.93 65.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.45 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.7 -48.04 64.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.576 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -53.22 -43.24 67.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.65 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.15 -49.41 75.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.723 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.404 ' OD2' ' O ' ' A' ' 28' ' ' ASN . 5.9 m-20 . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.592 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.973 0.416 . . . . 0.0 110.543 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -70.51 -46.62 63.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.745 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.508 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 3.8 mm? -58.35 -33.42 69.53 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.701 -179.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.18 -47.76 64.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.713 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.5 mt -59.87 -40.01 87.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.553 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.6 mm -64.04 -45.4 96.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.644 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.0 m -61.94 -42.38 99.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.456 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.1 tp -62.18 -42.59 99.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.505 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.2 m -58.64 -47.07 85.65 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.611 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.88 -39.73 86.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.659 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.74 -44.21 97.16 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -57.31 -51.5 69.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.909 0.385 . . . . 0.0 110.526 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.41 -38.83 88.99 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 69.4 mt -66.59 -50.6 65.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.673 0.273 . . . . 0.0 110.759 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 tp -53.84 -35.95 62.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.463 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 73.7 mt -64.0 -54.73 27.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.358 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.39 -46.1 73.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.485 179.505 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.33 -45.1 72.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.632 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 42.8 tp -58.71 -53.57 56.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.296 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.6 mt -55.96 -34.03 36.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.347 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 75.1 t -69.91 -49.11 59.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.517 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.7 m -63.44 -30.67 71.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.472 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -70.55 -44.61 67.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.356 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 71.4 m -59.69 -39.88 86.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.45 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.9 mt -65.95 -46.58 87.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.521 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.424 ' O ' ' OD1' ' A' ' 32' ' ' ASP . 15.5 m120 -50.78 -40.95 56.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.602 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.51 -50.78 66.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.496 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -54.16 -31.82 53.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.557 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.19 -47.39 11.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.498 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' A' ' 28' ' ' ASN . 14.0 m-20 . . . . . 0 C--N 1.326 -0.425 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.576 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.771 0.32 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -56.68 -44.23 81.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.54 -179.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.2 mt -66.31 -46.04 78.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.621 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -56.29 -39.26 72.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.55 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.5 mt -67.87 -41.64 82.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.569 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.7 mm -58.36 -47.5 87.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.56 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 65.8 m -54.53 -49.32 70.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.574 179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.6 mt -60.81 -43.56 98.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.623 -179.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.5 m -62.19 -42.53 99.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.642 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 52.1 t -60.06 -48.88 86.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.539 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.09 -46.86 93.13 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -57.91 -45.75 86.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.787 0.327 . . . . 0.0 110.61 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.8 -37.82 94.26 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.844 -0.903 . . . . 0.0 110.844 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 76.6 mt -71.29 -41.04 74.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.748 0.308 . . . . 0.0 110.583 -178.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 mp -56.53 -40.33 74.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.601 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 76.3 mt -63.55 -54.73 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.554 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.48 -47.0 76.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.558 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.2 m -59.74 -38.33 81.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.505 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.4 tt -62.05 -53.96 48.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.635 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 81.6 mt -52.46 -32.15 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.575 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.2 t -72.17 -51.71 28.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.589 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.9 m -62.29 -32.13 72.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.548 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -66.1 -42.76 88.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.577 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 90.8 m -62.22 -41.87 98.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.645 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 51.9 mt -65.05 -42.27 94.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.556 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -64.46 -48.63 74.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.618 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.28 -41.5 84.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.554 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt -57.89 -48.82 78.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.56 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.96 -39.52 94.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.611 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.595 -179.281 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.761 0.315 . . . . 0.0 110.578 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -63.2 -43.31 98.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.588 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.2 mt -62.4 -42.33 99.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.596 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -62.8 -47.8 81.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.6 -179.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.3 mt -58.17 -42.35 85.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.527 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 44.9 mt -57.18 -50.58 76.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.593 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.9 m -51.81 -46.55 64.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.47 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 mp -66.95 -42.09 85.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.584 -179.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.8 m -53.86 -46.68 71.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.555 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.6 t -65.95 -44.86 92.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.543 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.35 -43.34 57.61 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -64.07 -49.29 72.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.816 0.341 . . . . 0.0 110.558 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.13 -40.56 93.81 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.7 mm -66.57 -43.31 90.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.751 0.31 . . . . 0.0 110.519 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.86 -39.1 80.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.519 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 86.8 mt -62.18 -53.76 43.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.568 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -58.48 -43.15 88.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.57 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.05 -45.99 82.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.593 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 57.6 tp -63.74 -50.91 67.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.629 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 68.9 mt -52.91 -33.0 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.543 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 98.0 t -71.99 -52.79 22.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.609 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 42.1 m -61.9 -31.67 71.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.544 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -64.7 -50.72 65.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.551 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 75.0 m -58.58 -38.5 78.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.586 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.2 mm -61.6 -49.34 84.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.568 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -61.13 -39.42 89.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.526 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.12 -48.68 80.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.577 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -53.47 -47.85 69.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.603 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.4 -42.26 92.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.618 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.633 -179.734 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 43.9 mttt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.809 0.337 . . . . 0.0 110.562 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -62.22 -52.19 64.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.552 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.7 mt -60.95 -35.14 75.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.592 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -58.98 -42.8 90.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.525 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.2 mt -63.28 -49.09 75.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.591 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.3 mm -57.83 -40.92 78.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.538 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 54.4 m -59.2 -45.62 90.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.604 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.1 mp -64.55 -37.13 86.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.602 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.1 m -60.94 -50.44 73.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.58 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.02 -43.25 98.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.617 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.2 -43.76 96.92 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -64.55 -38.14 90.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.779 0.323 . . . . 0.0 110.533 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.85 -44.19 98.35 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.413 ' O ' ' OG ' ' A' ' 20' ' ' SER . 59.4 mt -65.75 -39.57 85.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.777 0.322 . . . . 0.0 110.599 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 tp -56.48 -38.56 71.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.589 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 69.6 mt -66.11 -51.78 55.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.576 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -58.54 -40.62 83.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.593 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' A' ' 16' ' ' ILE . 2.1 m -60.91 -42.59 98.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.634 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 42.8 tp -60.6 -48.55 81.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.586 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.9 mt -58.55 -34.79 52.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.576 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.8 t -69.59 -51.28 43.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.515 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 85.3 m -61.64 -30.91 71.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.551 179.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -66.78 -49.12 66.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.487 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 95.1 m -54.31 -42.68 70.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.525 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.1 mt -65.19 -50.67 72.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.576 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -48.11 -39.07 19.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.488 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.62 -50.44 44.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.578 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 71.6 mttt -60.29 -18.74 51.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.556 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.31 -47.61 9.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.547 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.617 179.949 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.0 tttp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.707 0.289 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -59.44 -40.62 87.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.669 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 mt -70.79 -40.42 72.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.496 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -61.91 -43.37 98.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.334 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 mt -62.85 -41.62 99.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.537 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.1 mm -62.97 -51.26 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.823 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 87.2 m -52.7 -39.57 62.12 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.364 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 tp -70.46 -52.17 24.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.787 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.0 m -49.09 -42.4 38.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.462 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.6 t -69.01 -56.23 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.71 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -51.78 -41.21 50.56 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -57.98 -53.29 59.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.761 0.315 . . . . 0.0 110.744 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.12 -33.61 87.71 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.1 mm -66.98 -47.65 81.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.755 0.312 . . . . 0.0 110.678 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.9 mt -57.98 -42.41 85.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.42 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.2 mt -60.81 -53.01 54.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.661 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -58.85 -46.89 86.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.512 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.5 t -54.06 -38.94 65.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.604 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.1 -47.39 58.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.52 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 mm -59.23 -28.73 40.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.763 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.4 t -74.78 -52.25 19.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.968 0.413 . . . . 0.0 110.615 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 42.5 m -62.05 -31.77 72.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.965 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -67.49 -43.58 80.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.482 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 98.4 m -61.67 -43.01 99.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.563 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.0 mt -61.2 -44.5 98.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.557 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.432 ' O ' ' OD1' ' A' ' 32' ' ' ASP . 95.8 m-20 -62.55 -42.92 99.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.567 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.5 -43.38 97.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.576 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -59.48 -41.99 91.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.716 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.8 -45.94 76.8 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.835 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 28' ' ' ASN . 1.1 m-20 . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.663 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.459 ' CG ' ' N ' ' A' ' 4' ' ' GLU . 9.0 ptmm? . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.816 0.341 . . . . 0.0 110.5 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.459 ' N ' ' CG ' ' A' ' 3' ' ' LYS . 35.4 tt0 -57.63 -50.61 72.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.372 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.9 mt -56.88 -40.96 77.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.583 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -64.01 -50.08 69.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.607 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mt -53.99 -42.62 69.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.544 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.9 mm -60.04 -47.17 92.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.666 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.6 m -56.49 -41.76 77.15 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.554 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -60.33 -44.96 95.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.74 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 60.1 m -60.12 -47.1 87.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 93.9 t -63.05 -44.15 99.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.654 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.73 -42.44 99.41 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -61.73 -46.32 90.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.793 0.33 . . . . 0.0 110.542 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.17 -43.52 99.3 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.3 mm -62.04 -46.22 96.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.798 0.332 . . . . 0.0 110.61 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mt -56.07 -39.06 71.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.502 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 67.9 mt -62.66 -53.5 46.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.278 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.52 -38.28 86.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.413 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.4 t -58.23 -44.85 88.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.576 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.7 tp -64.63 -50.38 67.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.399 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 85.5 mt -52.45 -34.39 18.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.3 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 67.4 t -68.99 -51.02 48.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.361 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.6 m -62.21 -28.92 70.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.266 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -66.89 -45.16 78.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.349 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 85.1 m -59.24 -40.6 86.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.596 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.6 mm -67.71 -48.4 76.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.6 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -49.51 -39.86 35.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.554 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.75 -51.79 56.35 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.578 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -57.08 -21.61 33.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.61 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.99 -43.88 13.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.603 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.616 -179.891 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.8 mttt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.832 0.349 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -67.36 -42.51 83.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.629 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.6 mt -62.73 -40.88 98.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.51 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -65.07 -38.47 90.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.73 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.9 mt -63.62 -43.8 95.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.726 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 82.5 mt -67.14 -38.0 80.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.586 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 85.9 m -69.42 -38.69 77.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.756 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mt -61.14 -44.6 97.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.488 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.3 m -61.34 -45.9 92.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.527 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.3 t -58.6 -49.64 81.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.521 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.22 -40.47 98.62 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -63.3 -52.03 63.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.651 0.263 . . . . 0.0 110.529 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.09 -38.29 55.75 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.9 mt -69.13 -40.96 81.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.767 0.318 . . . . 0.0 110.737 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 tp -56.38 -39.8 73.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.592 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.1 mm -66.52 -51.33 58.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.023 0.44 . . . . 0.0 110.321 -179.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.04 -46.84 84.7 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.362 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.0 m -56.52 -39.34 73.19 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.279 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.449 ' CD1' ' C ' ' A' ' 21' ' ' LEU . 3.1 tm? -61.43 -54.83 38.39 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.171 -0.611 . . . . 0.0 110.497 -179.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.442 ' O ' ' SG ' ' A' ' 26' ' ' CYS . 54.0 mt -54.93 -29.95 22.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.768 -179.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 86.1 t -75.27 -51.32 21.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.54 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 84.1 m -61.09 -31.24 70.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.232 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -69.12 -50.53 47.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.711 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.442 ' SG ' ' O ' ' A' ' 22' ' ' ILE . 76.0 m -54.94 -39.94 69.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.42 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 65.8 mt -64.42 -49.03 82.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.64 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -54.13 -43.73 70.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.547 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.72 -47.96 82.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.52 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.9 mttp -64.39 -41.53 96.62 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.629 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.81 -41.99 99.53 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.51 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.749 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.4 mmtm . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.813 0.34 . . . . 0.0 110.587 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -59.5 -46.6 88.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.524 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.494 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 4.1 mm? -61.29 -39.49 90.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.657 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.75 -42.87 97.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.647 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.6 mt -59.19 -47.62 84.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.549 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 11.5 mt -59.68 -38.43 75.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.567 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.9 m -63.39 -46.46 86.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.634 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 tt -60.72 -35.38 76.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.689 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.1 m -67.69 -41.66 83.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.516 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.4 t -64.26 -37.18 79.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.547 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.58 -46.06 64.02 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -59.88 -43.09 94.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.815 0.341 . . . . 0.0 110.608 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.38 -40.45 99.07 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.7 mt -67.08 -43.71 88.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.691 0.281 . . . . 0.0 110.554 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 tp -56.39 -41.62 76.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.256 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 71.9 mt -61.13 -53.75 44.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.526 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.18 -49.41 66.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.531 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.8 p -59.23 -37.9 78.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.744 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 53.3 tp -66.97 -48.63 67.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.636 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.484 ' O ' ' SG ' ' A' ' 26' ' ' CYS . 56.5 mt -58.51 -26.86 32.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.511 -179.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.6 t -74.09 -52.23 21.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.522 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.4 m -65.98 -31.89 73.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.48 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -65.94 -51.07 61.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.542 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.484 ' SG ' ' O ' ' A' ' 22' ' ' ILE . 76.9 m -57.67 -45.73 85.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.479 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.1 mm -58.78 -48.77 85.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.677 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -58.88 -48.16 82.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.596 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.77 -44.2 77.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.547 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.1 mmtm -60.68 -45.97 92.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.591 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.43 -41.16 93.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.709 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.705 -179.955 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.8 ptmm? . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.904 0.383 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -68.6 -46.21 69.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.463 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.506 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 4.1 mm? -63.13 -29.91 71.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.691 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -68.92 -41.08 78.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.382 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.4 mt -61.71 -41.0 97.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.461 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.9 mm -64.44 -41.82 93.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.564 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 34.5 m -64.3 -44.9 90.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.571 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 mt -55.0 -40.63 70.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.548 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.8 m -68.85 -45.47 71.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.567 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.9 t -54.39 -41.67 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.548 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.97 -46.22 82.84 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -58.85 -43.32 90.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.9 0.381 . . . . 0.0 110.537 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.02 -45.87 93.29 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 74.1 mt -63.57 -39.78 86.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.918 0.389 . . . . 0.0 110.409 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.95 -40.54 80.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.621 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 81.8 mt -62.59 -51.81 67.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.416 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -55.78 -44.75 78.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.573 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.17 -43.29 99.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.592 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.7 tp -56.25 -52.77 63.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.297 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 73.0 mt -56.95 -35.93 48.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.83 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.1 t -64.72 -51.79 62.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.631 -179.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 78.9 m -65.62 -31.05 71.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.276 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -60.76 -41.24 95.09 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.606 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.7 m -70.42 -44.58 67.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.623 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.5 mt -50.68 -43.08 23.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.482 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -67.3 -45.99 74.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.487 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.31 -38.23 73.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.634 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -73.53 -46.26 48.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.71 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.66 -35.93 44.22 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.53 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 . . . . . 0 C--N 1.325 -0.494 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.503 -179.89 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.2 mttt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.781 0.325 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -64.14 -49.01 73.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.538 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.459 ' N ' ' CD1' ' A' ' 5' ' ' LEU . 9.8 mp -56.57 -36.49 69.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.549 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -61.83 -49.32 76.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.533 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.2 mt -62.47 -41.0 98.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.556 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 75.6 mt -60.36 -49.7 83.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.489 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 89.8 m -59.88 -41.95 92.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.594 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.04 -46.11 78.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.55 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.1 m -59.84 -47.84 84.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.496 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 82.5 t -53.91 -48.74 62.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.513 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.14 -47.44 88.24 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -57.74 -43.98 85.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.781 0.324 . . . . 0.0 110.597 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.98 -41.12 97.76 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 69.2 mt -67.19 -43.65 88.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.769 0.319 . . . . 0.0 110.56 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 mp -57.0 -44.1 82.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.59 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.2 mt -57.2 -54.38 31.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.597 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.45 -39.59 80.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.494 -179.71 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.3 m -63.84 -38.24 90.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.573 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.51 -47.81 84.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.532 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 36.3 mt -63.04 -30.13 48.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.594 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.7 t -70.75 -51.84 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.463 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.8 m -63.85 -30.69 71.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.538 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -66.02 -44.89 83.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.557 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 93.7 m -58.91 -45.61 89.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.6 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.2 mt -60.74 -47.69 92.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.541 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -56.55 -41.34 76.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.587 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.21 -45.43 94.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.565 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.0 mttt -57.39 -44.85 84.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.51 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.26 -48.75 80.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.574 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.557 -179.876 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.424 ' H ' ' H ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.424 ' H ' ' H ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -57.75 -35.66 71.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.548 179.771 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.7 mttp -60.29 -52.0 67.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.586 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -57.52 -40.62 79.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.577 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.2 mt -65.44 -44.21 88.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.59 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -60.19 -41.99 94.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.447 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.2 mt -62.38 -44.8 95.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.584 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 54.5 mt -61.18 -44.23 97.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.565 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.4 m -60.2 -43.06 96.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.507 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.2 -36.5 84.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.547 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 63.4 m -59.69 -42.78 93.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.511 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 82.1 t -66.31 -42.88 91.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.573 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.11 -46.42 91.55 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -63.32 -38.96 93.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.736 0.303 . . . . 0.0 110.666 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.15 -40.26 97.89 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.4 mt -62.64 -42.9 97.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.709 0.29 . . . . 0.0 110.357 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mt -60.33 -42.86 96.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.484 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 89.3 mt -56.95 -53.74 38.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.485 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -57.3 -49.3 76.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.553 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.91 -43.45 69.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.52 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.65 -49.46 75.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.532 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.407 ' O ' ' SG ' ' A' ' 26' ' ' CYS . 43.6 mt -59.8 -27.0 37.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.722 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.8 t -74.61 -50.16 27.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.592 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 91.2 m -67.76 -32.54 73.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.401 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.491 ' CD1' ' C ' ' A' ' 25' ' ' TYR . 11.6 t80 -65.23 -46.46 80.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.412 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 22' ' ' ILE . 97.3 m -61.13 -39.45 90.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.398 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.8 mt -68.51 -42.26 83.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.418 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -56.45 -41.4 76.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.374 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.27 -43.15 78.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.568 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -53.82 -45.93 70.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.67 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.31 -43.72 97.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.705 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.11 -29.36 65.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.72 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.8 t -88.67 -43.37 15.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.4 mt -45.75 -36.13 4.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.701 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.62 ' O ' ' C ' ' A' ' 36' ' ' ILE . 78.1 m-85 -135.11 73.47 1.48 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.521 178.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.62 ' C ' ' O ' ' A' ' 35' ' ' PHE . 18.4 mm 1.51 70.89 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 O-C-N 124.4 1.062 . . . . 0.0 111.081 179.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.548 ' N ' ' O ' ' A' ' 35' ' ' PHE . . . -109.08 161.37 24.04 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.138 -178.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -40.67 135.66 2.05 Favored 'Trans proline' 0 C--N 1.304 -1.801 0 C-N-CA 122.939 2.426 . . . . 0.0 112.216 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.39 133.95 37.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.514 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.26 158.12 67.77 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 121.133 0.492 . . . . 0.0 110.578 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -64.91 117.86 4.91 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.719 2.279 . . . . 0.0 112.224 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 49.28 21.38 2.79 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.869 -0.893 . . . . 0.0 110.869 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 48.84 23.45 0.68 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.823 0.344 . . . . 0.0 110.529 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.8 t -81.56 119.75 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.518 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.5 p -68.24 145.66 54.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.56 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.508 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.414 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.414 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 1.1 p 75.47 -0.24 3.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.575 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -61.6 -47.57 84.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.598 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -60.86 -40.03 91.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.439 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.412 ' N ' ' CD1' ' A' ' 5' ' ' LEU . 10.7 mp -62.83 -42.74 99.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.525 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -63.28 -44.57 94.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.636 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.7 mt -60.31 -47.77 84.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.561 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.7 mm -60.2 -46.07 95.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.693 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.1 m -57.24 -47.07 82.3 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.518 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mp -57.28 -41.92 80.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.582 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 51.7 m -65.34 -42.49 92.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.445 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.8 t -57.7 -48.27 83.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.495 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.97 -39.09 95.14 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -65.31 -39.73 92.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.906 0.384 . . . . 0.0 110.546 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.65 -43.17 96.78 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 63.7 mt -67.32 -34.29 68.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.747 0.308 . . . . 0.0 110.366 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 tp -64.05 -39.49 94.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.391 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.7 mt -63.5 -51.27 72.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.497 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.39 -49.17 77.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.665 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.2 m -58.74 -39.8 81.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.508 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 49.9 tp -61.22 -50.99 70.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.409 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.5 mt -61.76 -28.04 43.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.602 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 89.5 t -74.43 -51.14 23.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.426 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.3 m -61.58 -30.85 70.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.188 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -66.95 -51.89 49.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.679 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 68.3 m -55.66 -35.66 66.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.405 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.3 mm -69.38 -49.5 59.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.64 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -55.06 -38.71 68.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.401 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.43 -46.66 79.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.574 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -61.74 -27.34 68.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.713 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.42 -40.77 16.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.75 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -58.19 -28.17 64.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.417 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.5 t -60.38 -19.16 17.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.701 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.494 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 9.1 mp -94.22 13.63 22.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.87 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.504 ' O ' ' N ' ' A' ' 37' ' ' ALA . 18.2 m-85 -118.38 80.55 1.54 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.753 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.59 ' CD1' ' N ' ' A' ' 36' ' ' ILE . 2.6 mp 36.22 29.53 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.521 -0.163 0 CA-C-O 121.213 0.53 . . . . 0.0 110.481 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' A' ' 35' ' ' PHE . . . -46.05 160.63 0.29 Allowed Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.603 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -69.96 153.68 67.74 Favored 'Trans proline' 0 C--N 1.308 -1.591 0 C-N-CA 122.722 2.281 . . . . 0.0 112.203 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -83.02 159.09 22.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.363 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.498 ' CD ' ' N ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -116.96 160.42 37.04 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.612 -179.762 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -38.88 139.9 0.44 Allowed 'Trans proline' 0 C--N 1.309 -1.548 0 C-N-CA 122.708 2.272 . . . . 0.0 112.355 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.65 -41.12 2.21 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.59 -8.79 59.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.719 0.295 . . . . 0.0 110.698 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.6 t 58.8 154.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.652 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.1 160.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.466 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 39.8 p90 . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.618 -179.944 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 p -147.51 160.77 42.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.573 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.21 -37.52 62.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.598 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -66.18 -52.41 48.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.561 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.6 mt -58.21 -35.33 71.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.524 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.5 -48.04 81.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.546 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.0 mt -60.46 -46.03 91.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.687 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.31 -39.25 80.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.41 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.7 m -61.64 -47.12 86.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.524 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.9 -50.72 72.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.68 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 42.2 m -54.66 -44.42 73.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.476 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.0 t -62.21 -45.36 98.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.471 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.08 -34.87 90.4 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -68.99 -43.02 75.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.75 0.31 . . . . 0.0 110.493 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.58 -35.48 91.87 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 80.4 mt -71.91 -39.88 67.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.727 0.299 . . . . 0.0 110.407 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.11 -35.77 74.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.395 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 76.0 mt -68.75 -51.72 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.441 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.73 -42.0 74.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.534 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.4 t -63.2 -39.74 95.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.506 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.25 -53.16 60.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.513 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.4 mt -58.48 -31.42 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.762 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.37 -49.89 62.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.472 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.0 m -66.87 -31.34 71.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.266 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -66.36 -45.71 79.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.706 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 93.7 m -60.37 -44.75 95.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.589 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 83.6 mt -58.4 -41.9 82.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.474 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -65.15 -46.55 80.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.6 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.64 -41.19 69.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.442 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -63.83 -46.69 83.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.637 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.47 -39.59 91.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.611 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.82 -43.54 85.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.634 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.7 t -73.82 -46.17 47.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.034 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.2 mt -45.48 -37.03 4.86 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.402 -179.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.577 ' O ' ' C ' ' A' ' 36' ' ' ILE . 94.3 m-85 -136.06 74.0 1.48 Allowed 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.528 178.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.577 ' C ' ' O ' ' A' ' 35' ' ' PHE . 18.4 mm -0.21 70.51 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 O-C-N 124.761 1.288 . . . . 0.0 110.876 179.29 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' A' ' 35' ' ' PHE . . . -40.15 160.23 0.12 Allowed Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.591 -179.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -70.74 -171.55 0.57 Allowed 'Trans proline' 0 C--N 1.307 -1.653 0 C-N-CA 122.67 2.246 . . . . 0.0 111.956 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -121.39 154.24 36.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.492 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.473 ' C ' ' H ' ' A' ' 42' ' ' GLY . 0.5 OUTLIER -101.06 161.81 22.54 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.602 -179.729 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -71.85 29.2 0.25 Allowed 'Trans proline' 0 C--N 1.309 -1.548 0 C-N-CA 122.734 2.289 . . . . 0.0 112.159 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.473 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . 52.42 25.12 19.15 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -135.96 102.18 4.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.809 0.338 . . . . 0.0 110.629 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.5 t -52.44 100.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.541 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.645 ' HG ' ' H ' ' A' ' 46' ' ' TYR . 10.8 t -145.18 178.13 8.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.579 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.645 ' H ' ' HG ' ' A' ' 45' ' ' SER . 4.5 t80 . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.556 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.469 ' H ' ' H ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.469 ' H ' ' H ' ' A' ' 1' ' ' ALA . 43.9 m -64.78 -12.04 43.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.55 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -62.3 -34.81 77.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.48 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.92 -45.58 94.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.479 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.469 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 4.3 mm? -62.63 -39.21 93.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.486 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.3 -46.2 90.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.518 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.7 mt -57.42 -42.28 82.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.577 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 90.8 mt -65.29 -43.54 95.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.649 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 82.0 m -58.31 -48.34 80.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.396 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.64 -37.55 86.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.471 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 61.3 m -52.59 -49.57 64.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.54 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.6 t -64.0 -42.85 97.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.644 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.52 -40.28 97.55 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -65.65 -40.2 92.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.321 . . . . 0.0 110.523 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.67 -39.02 97.1 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 97.5 mt -68.12 -41.72 84.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.738 0.304 . . . . 0.0 110.412 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 tt -56.89 -42.25 79.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.508 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.0 mt -62.12 -53.59 45.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.43 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.26 -45.1 76.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.507 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.8 t -54.97 -48.34 73.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.714 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.1 tt -64.89 -49.19 71.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.4 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 mm -53.84 -30.73 19.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.726 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 78.9 t -72.48 -52.37 23.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.395 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 88.1 m -62.47 -30.96 71.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.159 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -69.45 -49.84 51.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.598 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 59.7 m -57.99 -35.99 72.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.526 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 65.0 mt -70.63 -48.65 57.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.546 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -49.67 -40.87 41.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.45 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.41 -48.25 67.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.432 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.8 mmtt -53.17 -33.27 51.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.652 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.28 -49.89 11.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.741 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -51.61 -26.66 9.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.484 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 80.5 t -65.85 -15.29 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.81 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.434 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 10.2 mp -99.41 0.07 41.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.709 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.428 ' O ' ' C ' ' A' ' 36' ' ' ILE . 77.3 m-85 -135.12 79.92 1.81 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.411 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.428 ' C ' ' O ' ' A' ' 35' ' ' PHE . 23.9 mm 35.03 64.17 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.52 -0.176 0 CA-C-O 121.277 0.561 . . . . 0.0 110.341 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -42.77 162.14 0.17 Allowed Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.508 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -71.61 166.92 27.93 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.622 2.214 . . . . 0.0 112.005 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.41 ' O ' ' CG ' ' A' ' 39' ' ' ARG . 4.6 ptp180 -121.96 129.4 52.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.673 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -55.42 152.95 15.37 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.604 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -64.73 90.45 0.19 Allowed 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 122.859 2.373 . . . . 0.0 112.201 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.407 ' C ' ' N ' ' A' ' 44' ' ' VAL . . . 109.36 9.25 25.81 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.45 -22.8 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.899 0.38 . . . . 0.0 110.644 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.407 ' N ' ' C ' ' A' ' 42' ' ' GLY . 67.1 t -74.99 -62.33 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.649 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t -73.57 -58.3 3.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.557 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.559 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m 53.02 33.76 15.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.577 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.8 tttm -65.04 -42.53 94.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.557 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -58.89 -44.1 91.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.319 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.5 mt -65.6 -45.49 82.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.551 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -57.77 -50.88 71.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.656 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.8 mt -54.64 -45.91 73.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.529 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.6 mm -60.51 -52.99 55.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.632 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.8 m -54.41 -37.23 64.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.452 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 mt -69.02 -50.1 51.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.596 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.6 m -51.12 -42.38 60.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.486 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.0 t -67.2 -41.92 87.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.608 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.14 -35.8 92.57 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -65.28 -48.35 73.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.805 0.336 . . . . 0.0 110.486 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.2 -33.79 88.21 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.416 ' O ' ' OG ' ' A' ' 20' ' ' SER . 3.0 mm -72.22 -38.85 63.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.748 0.309 . . . . 0.0 110.417 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.48 -41.8 94.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.282 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.8 mt -63.62 -50.61 77.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.227 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -60.25 -47.57 85.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.399 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' A' ' 16' ' ' ILE . 8.0 m -53.48 -38.08 63.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.659 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.1 -54.21 23.54 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.596 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.0 mt -52.95 -29.43 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.491 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 75.2 t -74.43 -51.78 21.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.652 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 49.6 m -61.28 -31.47 71.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.331 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.447 ' CD1' ' C ' ' A' ' 25' ' ' TYR . 20.4 t80 -67.76 -48.52 66.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.561 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.5 m -56.37 -39.3 72.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.472 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 80.5 mt -69.26 -48.64 67.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.561 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -49.28 -38.36 26.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.664 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.64 -53.03 12.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.622 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -53.61 -24.63 14.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.448 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.69 -41.51 13.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.401 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -58.85 -23.84 61.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.536 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 78.2 t -63.9 -13.85 14.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.654 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.492 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 8.4 mp -98.61 8.02 45.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.655 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.551 ' O ' ' N ' ' A' ' 37' ' ' ALA . 28.7 m-85 -108.66 80.01 1.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.431 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.584 ' CD1' ' N ' ' A' ' 36' ' ' ILE . 2.9 mp 35.71 28.3 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.571 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.551 ' N ' ' O ' ' A' ' 35' ' ' PHE . . . -46.65 160.61 0.31 Allowed Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.525 -179.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -65.5 165.33 23.04 Favored 'Trans proline' 0 C--N 1.304 -1.801 0 C-N-CA 122.739 2.293 . . . . 0.0 112.018 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.92 154.33 20.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.554 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.533 ' C ' ' H ' ' A' ' 42' ' ' GLY . 1.0 OUTLIER -71.29 156.41 91.73 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.563 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -66.76 14.37 0.13 Allowed 'Trans proline' 0 C--N 1.303 -1.856 0 C-N-CA 122.869 2.379 . . . . 0.0 111.919 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.533 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . 60.73 21.66 58.55 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 60.64 18.74 8.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.739 0.304 . . . . 0.0 110.605 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.608 ' CG1' ' H ' ' A' ' 45' ' ' SER . 10.9 t 40.48 -129.93 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.283 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.608 ' H ' ' CG1' ' A' ' 44' ' ' VAL . 0.2 OUTLIER -96.6 165.66 12.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.522 -179.883 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.6 t80 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.536 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.435 ' C ' ' H ' ' A' ' 3' ' ' LYS . . . . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 61.03 4.92 0.9 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.611 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.435 ' H ' ' C ' ' A' ' 1' ' ' ALA . 6.6 tttp -61.99 -46.89 87.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.605 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.28 -42.52 86.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.467 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.5 mt -63.51 -47.94 79.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.539 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -56.72 -35.71 68.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.605 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.7 mt -69.39 -47.56 63.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.665 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.7 mt -61.64 -39.91 84.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.54 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 91.1 m -61.81 -48.23 81.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.575 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 mp -56.43 -44.58 80.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.616 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.7 m -56.47 -50.99 70.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.602 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.8 t -56.85 -44.44 82.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.58 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.58 -44.11 97.08 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -65.93 -40.37 91.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.751 0.31 . . . . 0.0 110.523 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.66 -42.74 99.43 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 57.2 mt -68.81 -40.66 81.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.712 0.292 . . . . 0.0 110.43 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.7 -39.44 73.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.648 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.6 mt -64.9 -52.53 52.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.494 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -59.92 -38.38 82.18 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.587 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 t -62.08 -43.07 99.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.612 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.1 tp -63.09 -48.52 78.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.558 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.0 mt -59.29 -31.1 45.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.576 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.3 t -74.26 -51.19 24.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.519 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.8 m -61.9 -31.71 72.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.191 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -66.07 -46.85 76.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.45 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 98.9 m -57.09 -43.44 82.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.614 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 97.3 mt -61.19 -50.27 81.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.541 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.6 m-20 -59.34 -44.83 92.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.53 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.31 -50.21 67.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.567 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.9 mmtm -63.04 -42.3 99.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.622 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.58 -39.26 91.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.61 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -56.85 -43.78 81.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.49 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.2 t -71.41 -46.09 65.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.078 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.6 mt -45.98 -37.8 6.97 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.711 -179.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.603 ' O ' ' C ' ' A' ' 36' ' ' ILE . 98.0 m-85 -134.71 73.26 1.48 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.609 178.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.603 ' C ' ' O ' ' A' ' 35' ' ' PHE . 17.9 mm 2.7 66.19 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 O-C-N 124.525 1.141 . . . . 0.0 110.849 179.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.597 ' N ' ' O ' ' A' ' 35' ' ' PHE . . . -114.22 88.77 15.73 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.36 -179.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.42 171.14 0.3 Allowed 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.693 2.262 . . . . 0.0 111.928 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -115.55 139.38 50.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.489 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.69 156.83 0.34 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.577 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.518 ' C ' ' H ' ' A' ' 43' ' ' ALA . 29.5 Cg_endo -63.1 -83.87 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.859 2.373 . . . . 0.0 112.232 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 59.23 2.07 1.29 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.518 ' H ' ' C ' ' A' ' 41' ' ' PRO . . . 64.51 28.85 13.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.819 0.342 . . . . 0.0 110.623 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 73.7 t -78.65 -64.36 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.604 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.8 m -94.48 57.8 2.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.569 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 31.6 t80 . . . . . 0 C--O 1.218 -0.567 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.596 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.496 ' C ' ' H ' ' A' ' 3' ' ' LYS . . . . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.01 -3.95 0.28 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.494 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.496 ' H ' ' C ' ' A' ' 1' ' ' ALA . 72.7 mttt -63.1 -35.72 81.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.602 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -61.62 -53.48 55.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.586 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.411 ' N ' ' CD1' ' A' ' 5' ' ' LEU . 10.8 mp -57.07 -38.31 73.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.561 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -67.92 -44.68 76.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.659 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.1 mt -55.71 -43.84 76.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.545 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.8 mt -63.19 -45.81 97.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.525 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 96.0 m -59.47 -40.07 85.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.506 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.3 -42.12 88.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.54 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 51.8 m -58.93 -38.55 79.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.53 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 96.4 t -66.06 -45.7 89.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.507 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.61 -38.44 93.72 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -66.42 -44.77 81.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.785 0.326 . . . . 0.0 110.636 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.04 -38.46 93.01 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 73.3 mt -67.72 -43.51 86.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.71 0.29 . . . . 0.0 110.488 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.16 -40.13 70.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.526 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 91.2 mt -62.45 -53.53 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.506 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.57 -45.16 85.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.611 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.24 -37.08 79.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.653 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.62 -53.11 59.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.495 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 83.4 mt -58.24 -31.58 42.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.722 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.8 t -71.93 -49.5 44.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.632 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 54.2 m -64.96 -30.71 71.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.247 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.415 ' CD1' ' C ' ' A' ' 25' ' ' TYR . 30.1 t80 -65.85 -49.12 69.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.565 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 65.5 m -59.24 -45.77 90.28 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.622 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.6 mt -58.02 -41.39 80.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.589 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -69.35 -41.17 76.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.604 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.92 -38.69 67.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.517 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -73.71 -44.48 56.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.778 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.59 -27.67 58.57 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.471 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -59.36 -17.71 32.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.54 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 61.3 t -98.25 2.24 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.583 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.421 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 10.5 mp -105.62 -30.64 9.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.939 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -133.96 -157.44 0.81 Allowed 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.284 0.564 . . . . 0.0 110.106 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.9 mp -95.09 10.24 4.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.488 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.25 162.73 0.17 Allowed Pre-proline 0 C--N 1.318 -0.763 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.548 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -40.24 126.24 1.97 Allowed 'Trans proline' 0 C--N 1.311 -1.444 0 C-N-CA 122.787 2.325 . . . . 0.0 112.229 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -66.36 155.62 36.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.472 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.541 ' O ' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -103.93 161.7 22.15 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.578 -179.775 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_exo -41.24 -16.72 0.05 OUTLIER 'Trans proline' 0 C--N 1.309 -1.542 0 C-N-CA 122.769 2.313 . . . . 0.0 112.554 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 40' ' ' GLU . . . 107.06 -42.74 1.85 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -150.09 124.5 9.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.78 0.324 . . . . 0.0 110.545 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.5 t -52.21 -64.0 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.551 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.32 141.83 28.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.565 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.549 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.09 -12.63 20.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.45 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.1 tttp -59.63 -33.05 71.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.745 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -59.4 -54.0 51.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.782 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 mt -62.45 -34.47 76.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.511 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -57.68 -52.39 65.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.498 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.6 mt -59.81 -40.97 90.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.537 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.1 mm -57.74 -49.5 80.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.641 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.7 m -63.36 -41.84 98.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.51 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 mt -58.89 -50.62 73.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.546 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 56.5 m -58.24 -43.96 88.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.76 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 72.2 t -58.78 -47.72 88.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.532 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.72 -38.42 95.12 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -59.61 -52.24 66.4 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.016 -0.274 . . . . 0.0 110.331 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.76 -42.8 96.61 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.2 mt -63.21 -46.07 96.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.914 0.388 . . . . 0.0 110.68 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mp -55.62 -39.3 70.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.579 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 56.7 mt -66.57 -53.43 35.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.643 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.35 -42.07 81.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.634 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.28 -38.89 84.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.427 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 tt -67.35 -52.0 45.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.5 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 83.0 mt -53.89 -29.45 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.62 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.6 t -74.11 -49.86 31.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.333 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 92.8 m -61.76 -32.57 72.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.249 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -65.45 -48.4 72.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.7 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 85.7 m -56.37 -48.21 77.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.265 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.8 mm -57.18 -50.08 77.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.243 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -51.91 -45.27 64.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.636 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.67 -45.48 89.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.475 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.69 -31.45 70.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.466 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.84 -37.12 27.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.576 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -60.44 -30.59 69.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.718 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.6 t -62.32 -17.6 18.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.711 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.504 ' N ' ' CD2' ' A' ' 34' ' ' LEU . 3.9 mm? -96.29 -0.75 49.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.618 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.49 ' O ' ' C ' ' A' ' 36' ' ' ILE . 58.1 m-85 -134.46 79.82 1.82 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.493 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.49 ' C ' ' O ' ' A' ' 35' ' ' PHE . 20.7 mm 32.22 64.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.278 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -42.4 162.42 0.16 Allowed Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.599 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -71.07 132.78 21.86 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.884 2.389 . . . . 0.0 111.966 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -113.1 139.12 48.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.685 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.524 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -126.71 163.84 38.5 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.583 -179.811 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -41.48 132.34 3.59 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.817 2.345 . . . . 0.0 112.424 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.424 ' C ' ' H ' ' A' ' 44' ' ' VAL . . . 100.54 -33.92 5.99 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.26 -7.51 1.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.764 0.316 . . . . 0.0 110.652 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.424 ' H ' ' C ' ' A' ' 42' ' ' GLY . 62.7 t -62.11 -37.81 79.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.531 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 p -108.98 172.38 6.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.685 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.546 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.07 -41.77 75.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.512 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt -64.65 -43.7 92.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.52 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -57.69 -41.35 81.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.485 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 mt -71.58 -37.26 71.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.5 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -61.91 -43.63 98.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.524 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.7 mt -67.61 -43.83 79.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.582 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.4 mm -55.89 -52.99 43.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.554 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 95.6 m -55.18 -43.47 74.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.581 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 mp -61.85 -43.93 97.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.604 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.0 m -57.22 -45.01 84.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.565 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.5 t -66.81 -45.87 86.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.52 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.13 -33.34 74.34 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -71.89 -46.37 58.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.782 0.325 . . . . 0.0 110.502 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.49 -36.68 92.93 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 56.3 mt -71.16 -36.01 60.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.788 0.328 . . . . 0.0 110.545 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 tp -60.33 -43.84 96.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.538 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 45.4 mt -63.23 -49.42 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.474 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -58.97 -45.2 91.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.49 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 p -58.31 -43.58 88.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.508 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.0 tt -59.54 -50.34 74.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.534 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.2 mm -58.11 -30.58 39.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.557 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.1 t -74.07 -52.91 18.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.531 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 49.9 m -59.68 -32.14 70.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.565 179.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -66.07 -48.64 70.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.545 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 91.3 m -58.51 -36.22 73.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.562 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.6 mm -64.56 -43.58 96.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.551 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.408 ' N ' HD21 ' A' ' 28' ' ' ASN . 1.0 OUTLIER -61.92 -41.66 98.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.506 -179.868 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.51 -45.53 83.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.559 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -61.17 -26.84 67.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.567 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.69 -36.28 16.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.609 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -61.45 -29.04 69.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.624 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -64.41 -16.12 18.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.617 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.435 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 10.4 mp -94.25 0.93 55.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.551 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -133.97 -155.78 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.504 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.9 mm -77.63 61.35 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.538 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -41.54 159.98 0.16 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.546 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -68.53 131.41 22.96 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.776 2.317 . . . . 0.0 112.169 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -139.58 152.91 47.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.526 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -58.57 154.74 32.97 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.584 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -68.6 93.82 0.43 Allowed 'Trans proline' 0 C--N 1.304 -1.79 0 C-N-CA 122.769 2.312 . . . . 0.0 112.086 179.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 56.72 13.19 7.62 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 53.87 20.51 2.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.847 0.356 . . . . 0.0 110.58 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.446 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 42.3 t 50.03 27.37 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.539 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.2 m 40.57 41.34 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.546 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 13.7 t80 . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.955 -1.021 . . . . 0.0 110.56 179.898 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 p -51.67 -45.09 63.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.506 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -57.49 -46.97 83.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.7 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -56.84 -40.66 76.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.518 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.3 mt -63.77 -32.33 73.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.678 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -65.54 -48.14 73.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.605 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.7 mp -66.87 -41.11 87.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.625 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.8 mm -55.22 -51.6 53.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.74 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 63.9 m -63.52 -41.47 98.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.445 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.69 -40.78 84.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.712 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.7 m -63.66 -46.54 85.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.589 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 56.4 t -56.76 -43.6 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.398 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.73 -37.23 94.09 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -64.75 -48.45 74.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.718 0.294 . . . . 0.0 110.515 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.56 -44.57 90.74 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 90.7 mt -63.17 -40.67 89.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.764 0.316 . . . . 0.0 110.436 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 tp -58.86 -41.44 87.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.517 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 90.5 mt -62.11 -54.25 36.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.649 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -54.57 -47.79 72.84 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.506 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.32 -45.89 69.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.463 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.49 -44.94 96.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.573 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.3 mm -62.65 -36.55 75.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.838 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.5 t -69.82 -51.58 39.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.356 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.436 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 85.2 m -61.29 -31.07 70.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.205 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' A' ' 25' ' ' TYR . 26.7 t80 -72.1 -46.68 55.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.574 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 85.4 m -55.24 -35.39 64.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.509 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 57.0 mt -71.62 -50.34 40.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.531 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.436 ' OD1' ' O ' ' A' ' 24' ' ' THR . 29.4 m120 -57.65 -30.93 65.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.45 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.7 -48.04 64.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.576 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -53.22 -43.24 67.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.65 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.15 -49.41 75.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.723 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.404 ' OD2' ' O ' ' A' ' 28' ' ' ASN . 5.9 m-20 -54.68 -31.55 57.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.592 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 53.2 t -85.2 -44.6 17.3 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.024 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.0 mt -46.62 -34.43 5.01 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.754 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.581 ' O ' ' C ' ' A' ' 36' ' ' ILE . 95.3 m-85 -135.51 74.35 1.51 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.348 178.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.581 ' C ' ' O ' ' A' ' 35' ' ' PHE . 23.0 mm -0.97 72.34 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 O-C-N 124.49 1.119 . . . . 0.0 111.358 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.54 ' N ' ' O ' ' A' ' 35' ' ' PHE . . . -46.46 161.3 0.28 Allowed Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.217 -178.429 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -69.94 152.24 68.31 Favored 'Trans proline' 0 C--N 1.307 -1.608 0 C-N-CA 122.726 2.284 . . . . 0.0 112.097 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -97.4 140.15 32.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.581 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -86.57 151.56 53.23 Favored Pre-proline 0 N--CA 1.451 -0.389 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.634 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -68.24 99.91 0.62 Allowed 'Trans proline' 0 C--N 1.309 -1.523 0 C-N-CA 122.721 2.281 . . . . 0.0 112.073 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 95.55 12.32 53.96 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' A' ' 45' ' ' SER . . . -41.2 104.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.812 0.339 . . . . 0.0 110.672 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.8 t 51.52 -87.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.539 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 43' ' ' ALA . 0.9 OUTLIER 65.95 177.94 0.21 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.659 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.509 179.947 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.45 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -46.89 -37.36 8.74 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.327 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.57 -39.89 50.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.543 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -70.51 -46.62 63.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.745 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.508 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 3.8 mm? -58.35 -33.42 69.53 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.701 -179.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.18 -47.76 64.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.713 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.5 mt -59.87 -40.01 87.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.553 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.6 mm -64.04 -45.4 96.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.644 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.0 m -61.94 -42.38 99.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.456 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.1 tp -62.18 -42.59 99.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.505 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.2 m -58.64 -47.07 85.65 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.611 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.88 -39.73 86.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.659 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.74 -44.21 97.16 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -57.31 -51.5 69.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.909 0.385 . . . . 0.0 110.526 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.41 -38.83 88.99 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 69.4 mt -66.59 -50.6 65.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.673 0.273 . . . . 0.0 110.759 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 tp -53.84 -35.95 62.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.463 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 73.7 mt -64.0 -54.73 27.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.358 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.39 -46.1 73.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.485 179.505 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.33 -45.1 72.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.632 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 42.8 tp -58.71 -53.57 56.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.296 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.6 mt -55.96 -34.03 36.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.347 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 75.1 t -69.91 -49.11 59.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.517 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.7 m -63.44 -30.67 71.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.472 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -70.55 -44.61 67.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.356 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 71.4 m -59.69 -39.88 86.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.45 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.9 mt -65.95 -46.58 87.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.521 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.424 ' O ' ' OD1' ' A' ' 32' ' ' ASP . 15.5 m120 -50.78 -40.95 56.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.602 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.51 -50.78 66.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.496 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -54.16 -31.82 53.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.557 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.19 -47.39 11.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.498 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' A' ' 28' ' ' ASN . 14.0 m-20 -51.99 -27.58 13.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.576 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 91.6 t -63.51 -10.87 7.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.717 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.6 mp -105.98 6.9 31.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.757 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.462 ' O ' ' C ' ' A' ' 36' ' ' ILE . 66.0 m-85 -134.32 78.81 1.77 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.734 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.462 ' C ' ' O ' ' A' ' 35' ' ' PHE . 13.1 mm 32.91 61.13 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.649 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 36' ' ' ILE . . . -40.54 161.89 0.1 Allowed Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.418 -179.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -67.96 160.51 48.23 Favored 'Trans proline' 0 C--N 1.3 -2.0 0 C-N-CA 122.905 2.404 . . . . 0.0 112.129 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -137.92 156.66 47.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.52 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.05 162.48 19.71 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.64 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -41.33 122.7 1.8 Allowed 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 123.013 2.476 . . . . 0.0 112.096 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.503 ' O ' ' N ' ' A' ' 44' ' ' VAL . . . 108.07 -39.22 2.97 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 47.89 -89.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.589 0.233 . . . . 0.0 110.378 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.503 ' N ' ' O ' ' A' ' 42' ' ' GLY . 41.4 t -120.1 128.89 75.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.646 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.96 -45.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.463 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.62 -179.799 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -57.84 -39.32 77.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.58 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -62.36 -45.07 94.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.603 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -56.68 -44.23 81.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.54 -179.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.2 mt -66.31 -46.04 78.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.621 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -56.29 -39.26 72.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.55 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.5 mt -67.87 -41.64 82.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.569 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.7 mm -58.36 -47.5 87.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.56 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 65.8 m -54.53 -49.32 70.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.574 179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.6 mt -60.81 -43.56 98.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.623 -179.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.5 m -62.19 -42.53 99.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.642 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 52.1 t -60.06 -48.88 86.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.539 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.09 -46.86 93.13 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -57.91 -45.75 86.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.787 0.327 . . . . 0.0 110.61 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.8 -37.82 94.26 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.844 -0.903 . . . . 0.0 110.844 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 76.6 mt -71.29 -41.04 74.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.748 0.308 . . . . 0.0 110.583 -178.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 mp -56.53 -40.33 74.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.601 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 76.3 mt -63.55 -54.73 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.554 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.48 -47.0 76.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.558 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.2 m -59.74 -38.33 81.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.505 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.4 tt -62.05 -53.96 48.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.635 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 81.6 mt -52.46 -32.15 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.575 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.2 t -72.17 -51.71 28.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.589 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.9 m -62.29 -32.13 72.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.548 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -66.1 -42.76 88.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.577 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 90.8 m -62.22 -41.87 98.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.645 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 51.9 mt -65.05 -42.27 94.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.556 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -64.46 -48.63 74.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.618 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.28 -41.5 84.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.554 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt -57.89 -48.82 78.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.56 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.96 -39.52 94.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.611 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -57.35 -43.6 83.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.595 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 73.5 t -75.38 -43.72 42.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.616 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.6 mt -46.84 -35.64 6.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.538 -179.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.679 ' O ' ' C ' ' A' ' 36' ' ' ILE . 61.2 m-85 -125.68 73.54 1.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.471 179.477 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.679 ' C ' ' O ' ' A' ' 35' ' ' PHE . 17.1 mm -0.7 72.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.551 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.641 ' N ' ' O ' ' A' ' 35' ' ' PHE . . . -39.09 163.0 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.493 178.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -39.73 136.38 1.25 Allowed 'Trans proline' 0 C--N 1.306 -1.671 0 C-N-CA 122.793 2.328 . . . . 0.0 112.165 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -101.62 130.28 47.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.565 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.56 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -123.99 158.95 58.62 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.514 179.86 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.429 ' O ' ' N ' ' A' ' 43' ' ' ALA . 74.2 Cg_exo -39.99 94.94 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.812 2.342 . . . . 0.0 112.159 -179.315 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.431 ' C ' ' N ' ' A' ' 44' ' ' VAL . . . 43.83 21.85 0.24 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 41' ' ' PRO . . . 45.53 20.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.811 0.339 . . . . 0.0 110.516 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.431 ' N ' ' C ' ' A' ' 42' ' ' GLY . 84.4 t -119.32 -36.84 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.535 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.96 -178.67 4.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.548 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.221 -0.414 0 CA-C-O 117.93 -1.034 . . . . 0.0 110.524 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.43 -37.66 87.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.508 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -42.36 99.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.578 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -63.2 -43.31 98.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.588 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.2 mt -62.4 -42.33 99.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.596 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -62.8 -47.8 81.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.6 -179.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.3 mt -58.17 -42.35 85.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.527 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 44.9 mt -57.18 -50.58 76.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.593 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.9 m -51.81 -46.55 64.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.47 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 mp -66.95 -42.09 85.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.584 -179.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.8 m -53.86 -46.68 71.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.555 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.6 t -65.95 -44.86 92.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.543 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.35 -43.34 57.61 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -64.07 -49.29 72.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.816 0.341 . . . . 0.0 110.558 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.13 -40.56 93.81 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.7 mm -66.57 -43.31 90.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.751 0.31 . . . . 0.0 110.519 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.86 -39.1 80.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.519 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 86.8 mt -62.18 -53.76 43.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.568 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -58.48 -43.15 88.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.57 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.05 -45.99 82.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.593 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 57.6 tp -63.74 -50.91 67.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.629 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 68.9 mt -52.91 -33.0 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.543 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 98.0 t -71.99 -52.79 22.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.609 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 42.1 m -61.9 -31.67 71.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.544 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -64.7 -50.72 65.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.551 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 75.0 m -58.58 -38.5 78.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.586 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.2 mm -61.6 -49.34 84.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.568 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -61.13 -39.42 89.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.526 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.12 -48.68 80.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.577 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -53.47 -47.85 69.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.603 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.4 -42.26 92.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.618 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -57.61 -33.73 68.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.633 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 79.0 t -83.15 -46.91 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.585 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.0 mt -46.31 -33.14 3.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.478 -179.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.703 ' O ' ' C ' ' A' ' 36' ' ' ILE . 80.2 m-85 -135.57 71.52 1.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.557 179.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.703 ' C ' ' O ' ' A' ' 35' ' ' PHE . 17.8 mm -1.39 73.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.483 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.633 ' N ' ' O ' ' A' ' 35' ' ' PHE . . . -40.94 159.05 0.17 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.611 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -64.22 163.13 27.23 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.832 2.355 . . . . 0.0 112.019 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 72.5 mtm180 -83.26 157.07 22.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.637 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.596 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -103.37 158.06 32.57 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.971 0.415 . . . . 0.0 110.523 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -69.68 23.44 0.17 Allowed 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.801 2.334 . . . . 0.0 112.125 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.519 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . 88.33 48.87 3.88 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.12 0.86 1.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 110.523 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.457 ' H ' ' C ' ' A' ' 42' ' ' GLY . 19.8 t -62.24 -21.09 25.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.542 179.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 71.4 p -67.8 -17.2 64.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.62 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 117.942 -1.028 . . . . 0.0 110.631 -179.684 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.0 p -62.28 -47.63 83.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.491 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -54.03 -37.6 64.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.562 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -62.22 -52.19 64.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.552 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.7 mt -60.95 -35.14 75.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.592 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -58.98 -42.8 90.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.525 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.2 mt -63.28 -49.09 75.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.591 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.3 mm -57.83 -40.92 78.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.538 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 54.4 m -59.2 -45.62 90.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.604 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.1 mp -64.55 -37.13 86.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.602 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.1 m -60.94 -50.44 73.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.58 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.02 -43.25 98.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.617 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.2 -43.76 96.92 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -64.55 -38.14 90.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.779 0.323 . . . . 0.0 110.533 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.85 -44.19 98.35 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.413 ' O ' ' OG ' ' A' ' 20' ' ' SER . 59.4 mt -65.75 -39.57 85.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.777 0.322 . . . . 0.0 110.599 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 tp -56.48 -38.56 71.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.589 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 69.6 mt -66.11 -51.78 55.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.576 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -58.54 -40.62 83.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.593 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' A' ' 16' ' ' ILE . 2.1 m -60.91 -42.59 98.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.634 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 42.8 tp -60.6 -48.55 81.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.586 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.9 mt -58.55 -34.79 52.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.576 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.8 t -69.59 -51.28 43.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.515 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 85.3 m -61.64 -30.91 71.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.551 179.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -66.78 -49.12 66.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.487 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 95.1 m -54.31 -42.68 70.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.525 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.1 mt -65.19 -50.67 72.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.576 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -48.11 -39.07 19.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.488 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.62 -50.44 44.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.578 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 71.6 mttt -60.29 -18.74 51.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.556 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.31 -47.61 9.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.547 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -63.79 -17.82 63.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.617 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.1 t -73.12 -11.15 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.557 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.52 ' N ' ' CD2' ' A' ' 34' ' ' LEU . 3.9 mm? -80.79 -1.82 44.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.613 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -133.43 -157.69 0.83 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.618 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.618 ' CD1' ' N ' ' A' ' 36' ' ' ILE . 2.5 mp -102.58 28.83 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.592 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 36' ' ' ILE . . . -38.77 157.57 0.11 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.566 179.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -67.38 174.15 7.67 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.888 2.392 . . . . 0.0 112.158 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 48.3 mtm-85 -74.33 160.38 31.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.524 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.543 ' O ' ' N ' ' A' ' 42' ' ' GLY . 0.4 OUTLIER -45.27 155.37 0.44 Allowed Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.566 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -39.24 -19.72 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.792 2.328 . . . . 0.0 112.138 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 40' ' ' GLU . . . 55.25 12.2 4.04 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.424 ' CB ' ' O ' ' A' ' 42' ' ' GLY . . . 76.56 22.03 1.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 110.598 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.3 t -104.17 117.24 49.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.551 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.2 m -72.06 -22.08 61.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.566 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.081 -0.962 . . . . 0.0 110.615 179.951 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.414 ' C ' ' N ' ' A' ' 3' ' ' LYS . . . . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m 45.33 21.22 0.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.389 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.414 ' N ' ' C ' ' A' ' 1' ' ' ALA . 9.0 tttp -61.47 -44.71 96.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.583 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -59.44 -40.62 87.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.669 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 mt -70.79 -40.42 72.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.496 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -61.91 -43.37 98.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.334 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 mt -62.85 -41.62 99.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.537 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.1 mm -62.97 -51.26 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.823 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 87.2 m -52.7 -39.57 62.12 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.364 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 tp -70.46 -52.17 24.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.787 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.0 m -49.09 -42.4 38.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.462 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.6 t -69.01 -56.23 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.71 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -51.78 -41.21 50.56 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -57.98 -53.29 59.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.761 0.315 . . . . 0.0 110.744 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.12 -33.61 87.71 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.1 mm -66.98 -47.65 81.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.755 0.312 . . . . 0.0 110.678 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.9 mt -57.98 -42.41 85.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.42 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.2 mt -60.81 -53.01 54.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.661 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -58.85 -46.89 86.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.512 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.5 t -54.06 -38.94 65.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.604 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.1 -47.39 58.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.52 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 mm -59.23 -28.73 40.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.763 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.4 t -74.78 -52.25 19.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.968 0.413 . . . . 0.0 110.615 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 42.5 m -62.05 -31.77 72.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.965 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -67.49 -43.58 80.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.482 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 98.4 m -61.67 -43.01 99.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.563 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.0 mt -61.2 -44.5 98.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.557 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.432 ' O ' ' OD1' ' A' ' 32' ' ' ASP . 95.8 m-20 -62.55 -42.92 99.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.567 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.5 -43.38 97.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.576 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -59.48 -41.99 91.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.716 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.8 -45.94 76.8 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.835 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 28' ' ' ASN . 1.1 m-20 -51.73 -41.71 61.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.663 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.7 t -73.63 -44.81 52.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.833 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.2 mt -47.43 -31.95 4.6 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.631 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.567 ' O ' ' C ' ' A' ' 36' ' ' ILE . 54.8 m-85 -126.7 74.0 1.44 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.392 179.254 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.567 ' C ' ' O ' ' A' ' 35' ' ' PHE . 25.2 mm 4.69 67.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 O-C-N 124.53 1.144 . . . . 0.0 111.319 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 35' ' ' PHE . . . -37.82 160.44 0.07 OUTLIER Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.569 -179.137 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.16 -176.74 0.68 Allowed 'Trans proline' 0 C--N 1.306 -1.661 0 C-N-CA 122.63 2.22 . . . . 0.0 112.058 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -133.79 137.32 45.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.283 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.45 164.82 13.88 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.693 -179.705 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -42.99 119.41 1.56 Allowed 'Trans proline' 0 C--N 1.31 -1.453 0 C-N-CA 122.723 2.282 . . . . 0.0 112.195 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 52.03 41.08 52.16 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.77 118.73 3.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.8 0.333 . . . . 0.0 110.598 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 20.0 t -68.35 99.85 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.586 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -148.22 3.13 0.68 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.587 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.483 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.2 m -58.85 -50.35 74.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.706 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.459 ' CG ' ' N ' ' A' ' 4' ' ' GLU . 9.0 ptmm? -53.67 -48.86 69.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.5 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.459 ' N ' ' CG ' ' A' ' 3' ' ' LYS . 35.4 tt0 -57.63 -50.61 72.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.372 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.9 mt -56.88 -40.96 77.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.583 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -64.01 -50.08 69.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.607 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mt -53.99 -42.62 69.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.544 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.9 mm -60.04 -47.17 92.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.666 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.6 m -56.49 -41.76 77.15 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.554 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -60.33 -44.96 95.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.74 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 60.1 m -60.12 -47.1 87.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 93.9 t -63.05 -44.15 99.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.654 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.73 -42.44 99.41 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -61.73 -46.32 90.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.793 0.33 . . . . 0.0 110.542 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.17 -43.52 99.3 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.3 mm -62.04 -46.22 96.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.798 0.332 . . . . 0.0 110.61 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mt -56.07 -39.06 71.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.502 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 67.9 mt -62.66 -53.5 46.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.278 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.52 -38.28 86.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.413 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.4 t -58.23 -44.85 88.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.576 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.7 tp -64.63 -50.38 67.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.399 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 85.5 mt -52.45 -34.39 18.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.3 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 67.4 t -68.99 -51.02 48.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.361 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.6 m -62.21 -28.92 70.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.266 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -66.89 -45.16 78.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.349 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 85.1 m -59.24 -40.6 86.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.596 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.6 mm -67.71 -48.4 76.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.6 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -49.51 -39.86 35.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.554 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.75 -51.79 56.35 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.578 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -57.08 -21.61 33.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.61 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.99 -43.88 13.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.603 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -64.01 -17.57 63.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.616 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.417 ' O ' ' CG1' ' A' ' 33' ' ' VAL . 90.0 t -73.32 -3.16 3.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.811 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.436 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 10.5 mp -97.32 2.1 50.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.641 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -126.53 -159.14 0.9 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.554 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.598 ' CD1' ' N ' ' A' ' 36' ' ' ILE . 2.6 mp -100.06 28.04 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.738 -179.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.27 160.66 1.63 Allowed Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.672 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -69.5 -171.76 0.48 Allowed 'Trans proline' 0 C--N 1.303 -1.862 0 C-N-CA 122.778 2.319 . . . . 0.0 112.294 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -131.45 139.46 49.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.552 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.489 ' CD ' ' N ' ' A' ' 40' ' ' GLU . 0.2 OUTLIER -115.29 162.18 25.85 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.611 -179.769 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_exo -40.84 -22.66 0.12 Allowed 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.954 2.436 . . . . 0.0 112.412 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 40' ' ' GLU . . . 111.33 18.86 7.85 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 59.19 105.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.763 0.316 . . . . 0.0 110.737 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 65.2 t -90.39 -56.68 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.506 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.7 -27.26 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.487 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.7 t80 . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.965 -1.016 . . . . 0.0 110.455 -179.976 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -64.57 -38.43 90.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.738 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -63.99 -37.93 89.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.741 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -67.36 -42.51 83.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.629 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.6 mt -62.73 -40.88 98.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.51 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -65.07 -38.47 90.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.73 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.9 mt -63.62 -43.8 95.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.726 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 82.5 mt -67.14 -38.0 80.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.586 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 85.9 m -69.42 -38.69 77.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.756 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mt -61.14 -44.6 97.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.488 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.3 m -61.34 -45.9 92.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.527 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.3 t -58.6 -49.64 81.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.521 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.22 -40.47 98.62 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -63.3 -52.03 63.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.651 0.263 . . . . 0.0 110.529 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.09 -38.29 55.75 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.9 mt -69.13 -40.96 81.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.767 0.318 . . . . 0.0 110.737 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 tp -56.38 -39.8 73.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.592 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.1 mm -66.52 -51.33 58.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.023 0.44 . . . . 0.0 110.321 -179.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.04 -46.84 84.7 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.362 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.0 m -56.52 -39.34 73.19 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.279 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.449 ' CD1' ' C ' ' A' ' 21' ' ' LEU . 3.1 tm? -61.43 -54.83 38.39 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.171 -0.611 . . . . 0.0 110.497 -179.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.442 ' O ' ' SG ' ' A' ' 26' ' ' CYS . 54.0 mt -54.93 -29.95 22.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.768 -179.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 86.1 t -75.27 -51.32 21.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.54 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 84.1 m -61.09 -31.24 70.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.232 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -69.12 -50.53 47.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.711 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.442 ' SG ' ' O ' ' A' ' 22' ' ' ILE . 76.0 m -54.94 -39.94 69.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.42 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 65.8 mt -64.42 -49.03 82.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.64 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -54.13 -43.73 70.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.547 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.72 -47.96 82.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.52 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.9 mttp -64.39 -41.53 96.62 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.629 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.81 -41.99 99.53 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.51 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -58.54 -41.7 86.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.749 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 25.2 t -74.44 -43.57 48.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.6 mt -46.45 -37.08 7.27 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.439 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.59 ' O ' ' N ' ' A' ' 37' ' ' ALA . 80.7 m-85 -131.1 74.48 1.6 Allowed 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.668 178.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.542 ' C ' ' O ' ' A' ' 35' ' ' PHE . 26.3 mm 1.36 65.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 O-C-N 124.79 1.306 . . . . 0.0 111.348 179.241 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.59 ' N ' ' O ' ' A' ' 35' ' ' PHE . . . -109.94 162.43 20.39 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.833 -178.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -39.65 137.46 1.05 Allowed 'Trans proline' 0 C--N 1.309 -1.522 0 C-N-CA 122.706 2.271 . . . . 0.0 112.02 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.1 mtt180 -104.21 160.96 14.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.543 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -80.26 151.04 72.07 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.779 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_exo -37.68 146.77 0.1 Allowed 'Trans proline' 0 C--N 1.312 -1.355 0 C-N-CA 122.699 2.266 . . . . 0.0 112.333 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.62 -49.98 2.33 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 55.55 -109.68 0.51 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.839 0.352 . . . . 0.0 110.544 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.472 ' O ' ' CB ' ' A' ' 45' ' ' SER . 39.2 t -58.64 -21.55 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.646 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 0.7 OUTLIER 79.19 31.35 0.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.502 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.542 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -42.28 153.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.581 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.4 mmtm -52.8 -47.47 67.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.587 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -59.5 -46.6 88.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.524 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.494 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 4.1 mm? -61.29 -39.49 90.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.657 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.75 -42.87 97.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.647 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.6 mt -59.19 -47.62 84.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.549 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 11.5 mt -59.68 -38.43 75.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.567 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.9 m -63.39 -46.46 86.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.634 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 tt -60.72 -35.38 76.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.689 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.1 m -67.69 -41.66 83.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.516 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.4 t -64.26 -37.18 79.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.547 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.58 -46.06 64.02 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -59.88 -43.09 94.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.815 0.341 . . . . 0.0 110.608 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.38 -40.45 99.07 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.7 mt -67.08 -43.71 88.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.691 0.281 . . . . 0.0 110.554 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 tp -56.39 -41.62 76.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.256 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 71.9 mt -61.13 -53.75 44.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.526 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.18 -49.41 66.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.531 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.8 p -59.23 -37.9 78.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.744 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 53.3 tp -66.97 -48.63 67.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.636 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.484 ' O ' ' SG ' ' A' ' 26' ' ' CYS . 56.5 mt -58.51 -26.86 32.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.511 -179.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.6 t -74.09 -52.23 21.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.522 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.4 m -65.98 -31.89 73.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.48 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -65.94 -51.07 61.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.542 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.484 ' SG ' ' O ' ' A' ' 22' ' ' ILE . 76.9 m -57.67 -45.73 85.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.479 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.1 mm -58.78 -48.77 85.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.677 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -58.88 -48.16 82.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.596 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.77 -44.2 77.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.547 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.1 mmtm -60.68 -45.97 92.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.591 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.43 -41.16 93.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.709 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -53.69 -48.81 69.17 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.705 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.2 t -68.26 -44.99 83.53 Favored 'Isoleucine or valine' 0 C--O 1.241 0.634 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.156 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.7 mt -46.93 -35.15 6.17 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.987 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.571 ' O ' ' C ' ' A' ' 36' ' ' ILE . 65.9 m-85 -121.49 73.45 1.06 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.456 178.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.571 ' C ' ' O ' ' A' ' 35' ' ' PHE . 19.6 mm 6.58 66.45 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 O-C-N 124.583 1.177 . . . . 0.0 110.97 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 35' ' ' PHE . . . -43.29 161.14 0.2 Allowed Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.323 -178.561 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -39.12 136.56 0.81 Allowed 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.824 2.349 . . . . 0.0 112.196 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 77.8 mtm-85 -88.57 133.64 34.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.417 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.467 ' O ' ' O ' ' A' ' 41' ' ' PRO . 36.3 mm-40 -109.78 108.61 59.48 Favored Pre-proline 0 CA--C 1.538 0.481 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.363 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.467 ' O ' ' O ' ' A' ' 40' ' ' GLU . 52.0 Cg_exo -49.85 -165.93 0.0 OUTLIER 'Trans proline' 0 C--N 1.314 -1.243 0 C-N-CA 122.771 2.314 . . . . 0.0 112.277 179.167 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.51 -57.8 2.92 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 174.75 17.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.989 0.423 . . . . 0.0 110.567 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 98.3 t 53.31 88.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.605 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.8 m 46.13 -172.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.514 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.426 ' CD1' ' N ' ' A' ' 46' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.401 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.509 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.5 p -46.95 -36.59 7.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.511 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.8 ptmm? -58.09 -38.43 76.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.675 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -68.6 -46.21 69.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.463 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.506 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 4.1 mm? -63.13 -29.91 71.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.691 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -68.92 -41.08 78.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.382 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.4 mt -61.71 -41.0 97.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.461 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.9 mm -64.44 -41.82 93.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.564 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 34.5 m -64.3 -44.9 90.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.571 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 mt -55.0 -40.63 70.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.548 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.8 m -68.85 -45.47 71.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.567 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.9 t -54.39 -41.67 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.548 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.97 -46.22 82.84 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -58.85 -43.32 90.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.9 0.381 . . . . 0.0 110.537 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.02 -45.87 93.29 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 74.1 mt -63.57 -39.78 86.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.918 0.389 . . . . 0.0 110.409 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.95 -40.54 80.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.621 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 81.8 mt -62.59 -51.81 67.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.416 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -55.78 -44.75 78.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.573 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.17 -43.29 99.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.592 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.7 tp -56.25 -52.77 63.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.297 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 73.0 mt -56.95 -35.93 48.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.83 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.1 t -64.72 -51.79 62.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.631 -179.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 78.9 m -65.62 -31.05 71.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.276 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -60.76 -41.24 95.09 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.606 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.7 m -70.42 -44.58 67.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.623 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.5 mt -50.68 -43.08 23.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.482 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -67.3 -45.99 74.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.487 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.31 -38.23 73.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.634 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -73.53 -46.26 48.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.71 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.66 -35.93 44.22 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.53 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -56.27 -18.77 11.53 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.503 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.5 t -94.14 -3.91 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.778 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.425 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 10.4 mp -108.88 -11.0 15.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.673 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.411 ' O ' ' C ' ' A' ' 36' ' ' ILE . 8.3 m-85 -105.06 78.58 1.41 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.124 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.6 ' CD1' ' N ' ' A' ' 36' ' ' ILE . 2.0 mp 36.97 44.21 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.257 0.551 . . . . 0.0 110.473 178.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.428 ' O ' ' O ' ' A' ' 36' ' ' ILE . . . -41.04 163.94 0.09 OUTLIER Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.544 -179.564 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -73.03 -93.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.405 0 C-N-CA 122.813 2.342 . . . . 0.0 112.13 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -126.48 159.65 32.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.778 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.531 ' C ' ' H ' ' A' ' 42' ' ' GLY . 2.3 mp0 -51.12 155.74 2.09 Favored Pre-proline 0 N--CA 1.453 -0.32 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.644 -179.485 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -68.29 29.0 0.14 Allowed 'Trans proline' 0 C--N 1.309 -1.53 0 C-N-CA 122.711 2.274 . . . . 0.0 112.153 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.531 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . 85.41 50.51 4.01 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.34 134.84 40.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.735 0.302 . . . . 0.0 110.509 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.2 t -110.86 117.29 54.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.603 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.8 p -98.84 63.76 1.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.494 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.416 ' OXT' ' CG ' ' A' ' 46' ' ' TYR . 40.9 t80 . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.557 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 t -59.17 -9.61 2.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.579 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -54.94 -37.25 66.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.558 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -64.14 -49.01 73.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.538 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.459 ' N ' ' CD1' ' A' ' 5' ' ' LEU . 9.8 mp -56.57 -36.49 69.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.549 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -61.83 -49.32 76.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.533 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.2 mt -62.47 -41.0 98.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.556 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 75.6 mt -60.36 -49.7 83.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.489 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 89.8 m -59.88 -41.95 92.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.594 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.04 -46.11 78.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.55 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.1 m -59.84 -47.84 84.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.496 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 82.5 t -53.91 -48.74 62.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.513 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.14 -47.44 88.24 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -57.74 -43.98 85.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.781 0.324 . . . . 0.0 110.597 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.98 -41.12 97.76 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 69.2 mt -67.19 -43.65 88.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.769 0.319 . . . . 0.0 110.56 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 mp -57.0 -44.1 82.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.59 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.2 mt -57.2 -54.38 31.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.597 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.45 -39.59 80.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.494 -179.71 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.3 m -63.84 -38.24 90.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.573 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.51 -47.81 84.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.532 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 36.3 mt -63.04 -30.13 48.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.594 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.7 t -70.75 -51.84 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.463 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.8 m -63.85 -30.69 71.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.538 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -66.02 -44.89 83.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.557 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 93.7 m -58.91 -45.61 89.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.6 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.2 mt -60.74 -47.69 92.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.541 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -56.55 -41.34 76.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.587 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.21 -45.43 94.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.565 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.0 mttt -57.39 -44.85 84.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.51 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.26 -48.75 80.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.574 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -51.98 -42.13 62.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.557 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.6 t -76.01 -43.61 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.585 -178.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.7 mt -44.76 -34.59 2.33 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.606 -178.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.703 ' O ' ' C ' ' A' ' 36' ' ' ILE . 86.9 m-85 -131.59 73.24 1.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.572 179.143 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.703 ' C ' ' O ' ' A' ' 35' ' ' PHE . 33.2 mm 3.24 67.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.505 179.2 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.667 ' N ' ' O ' ' A' ' 35' ' ' PHE . . . -110.44 156.37 40.48 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.516 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -62.87 -169.49 0.09 OUTLIER 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.806 2.337 . . . . 0.0 112.139 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.6 ptp85 -134.88 161.59 34.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.571 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -44.2 155.79 0.34 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.537 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 42' ' ' GLY . 70.5 Cg_exo -41.37 94.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.85 2.367 . . . . 0.0 112.063 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.447 ' CA ' ' HG ' ' A' ' 45' ' ' SER . . . 38.61 45.97 2.05 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.09 -47.53 68.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.72 0.295 . . . . 0.0 110.576 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.1 t -64.38 -27.52 42.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.563 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.447 ' HG ' ' CA ' ' A' ' 42' ' ' GLY . 0.9 OUTLIER -74.69 -51.0 15.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.605 179.891 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.553 -179.951 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.7 mttp . . . . . 0 CA--C 1.526 0.045 0 CA-C-O 120.861 0.362 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -57.52 -40.62 79.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.577 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.2 mt -65.44 -44.21 88.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.59 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -60.19 -41.99 94.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.447 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.2 mt -62.38 -44.8 95.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.584 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 54.5 mt -61.18 -44.23 97.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.565 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.4 m -60.2 -43.06 96.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.507 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.597 HD23 ' O ' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -65.2 -36.5 84.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.547 179.881 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 63.4 m -59.69 -42.78 93.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.511 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 82.1 t -66.31 -42.88 91.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.573 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.11 -46.42 91.55 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.864 ' CE2' HD11 ' A' ' 18' ' ' ILE . 35.8 t80 -63.32 -38.96 93.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.736 0.303 . . . . 0.0 110.666 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.15 -40.26 97.89 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.4 mt -62.64 -42.9 97.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.709 0.29 . . . . 0.0 110.357 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mt -60.33 -42.86 96.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.484 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.864 HD11 ' CE2' ' A' ' 14' ' ' PHE . 89.3 mt -56.95 -53.74 38.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.485 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.447 ' O ' HG23 ' A' ' 23' ' ' VAL . 5.8 t80 -57.3 -49.3 76.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.553 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.91 -43.45 69.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.52 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.65 -49.46 75.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.532 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 43.6 mt -59.8 -27.0 37.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.722 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 19' ' ' PHE . 53.8 t -74.61 -50.16 27.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.592 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 91.2 m -67.76 -32.54 73.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.401 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.491 ' CD1' ' C ' ' A' ' 25' ' ' TYR . 11.6 t80 -65.23 -46.46 80.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.412 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 97.3 m -61.13 -39.45 90.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.398 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.8 mt -68.51 -42.26 83.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.418 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -56.45 -41.4 76.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.374 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.27 -43.15 78.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.568 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -53.82 -45.93 70.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.67 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.31 -43.72 97.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.705 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.72 -179.805 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.744 0.306 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -60.86 -40.03 91.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.439 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.502 HD12 ' N ' ' A' ' 5' ' ' LEU . 10.7 mp -62.83 -42.74 99.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.525 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -63.28 -44.57 94.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.636 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.7 mt -60.31 -47.77 84.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.561 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.562 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.7 mm -60.2 -46.07 95.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.693 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.1 m -57.24 -47.07 82.3 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.518 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mp -57.28 -41.92 80.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.582 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 51.7 m -65.34 -42.49 92.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.445 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 8' ' ' ILE . 84.8 t -57.7 -48.27 83.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.495 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.97 -39.09 95.14 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.777 ' CE2' HD11 ' A' ' 18' ' ' ILE . 71.8 t80 -65.31 -39.73 92.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.906 0.384 . . . . 0.0 110.546 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.65 -43.17 96.78 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 63.7 mt -67.32 -34.29 68.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.747 0.308 . . . . 0.0 110.366 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 tp -64.05 -39.49 94.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.391 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.777 HD11 ' CE2' ' A' ' 14' ' ' PHE . 62.7 mt -63.5 -51.27 72.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.497 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.745 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -57.39 -49.17 77.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.665 179.861 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.2 m -58.74 -39.8 81.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.508 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 49.9 tp -61.22 -50.99 70.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.409 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.5 mt -61.76 -28.04 43.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.602 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 19' ' ' PHE . 89.5 t -74.43 -51.14 23.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.426 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.3 m -61.58 -30.85 70.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.188 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -66.95 -51.89 49.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.679 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 68.3 m -55.66 -35.66 66.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.405 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.3 mm -69.38 -49.5 59.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.64 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -55.06 -38.71 68.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.401 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.43 -46.66 79.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.574 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -61.74 -27.34 68.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.713 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.42 -40.77 16.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.75 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.417 179.925 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.813 0.339 . . . . 0.0 110.598 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -66.18 -52.41 48.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.561 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.6 mt -58.21 -35.33 71.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.524 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.5 -48.04 81.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.546 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.0 mt -60.46 -46.03 91.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.687 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.487 ' O ' HG23 ' A' ' 12' ' ' VAL . 96.4 mt -60.31 -39.25 80.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.41 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.7 m -61.64 -47.12 86.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.524 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.9 -50.72 72.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.68 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 42.2 m -54.66 -44.42 73.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.476 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 8' ' ' ILE . 57.0 t -62.21 -45.36 98.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.471 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.08 -34.87 90.4 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.722 ' CE2' HD11 ' A' ' 18' ' ' ILE . 50.3 t80 -68.99 -43.02 75.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.75 0.31 . . . . 0.0 110.493 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.58 -35.48 91.87 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 80.4 mt -71.91 -39.88 67.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.727 0.299 . . . . 0.0 110.407 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.11 -35.77 74.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.395 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.722 HD11 ' CE2' ' A' ' 14' ' ' PHE . 76.0 mt -68.75 -51.72 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.441 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.631 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -55.73 -42.0 74.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.534 179.861 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.4 t -63.2 -39.74 95.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.506 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.25 -53.16 60.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.513 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.4 mt -58.48 -31.42 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.762 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 19' ' ' PHE . 54.2 t -68.37 -49.89 62.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.472 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.0 m -66.87 -31.34 71.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.266 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -66.36 -45.71 79.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.706 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 93.7 m -60.37 -44.75 95.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.589 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 83.6 mt -58.4 -41.9 82.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.474 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -65.15 -46.55 80.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.6 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.64 -41.19 69.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.442 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -63.83 -46.69 83.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.637 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.47 -39.59 91.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.611 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.634 -179.926 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.797 0.332 . . . . 0.0 110.48 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.92 -45.58 94.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.479 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.509 ' N ' HD22 ' A' ' 5' ' ' LEU . 4.3 mm? -62.63 -39.21 93.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.486 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.3 -46.2 90.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.518 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.7 mt -57.42 -42.28 82.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.577 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 90.8 mt -65.29 -43.54 95.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.649 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 82.0 m -58.31 -48.34 80.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.396 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.64 -37.55 86.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.471 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 61.3 m -52.59 -49.57 64.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.54 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.6 t -64.0 -42.85 97.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.644 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.52 -40.28 97.55 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.785 ' CE2' HD11 ' A' ' 18' ' ' ILE . 81.9 t80 -65.65 -40.2 92.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.321 . . . . 0.0 110.523 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.67 -39.02 97.1 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 97.5 mt -68.12 -41.72 84.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.738 0.304 . . . . 0.0 110.412 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 tt -56.89 -42.25 79.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.508 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.785 HD11 ' CE2' ' A' ' 14' ' ' PHE . 39.0 mt -62.12 -53.59 45.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.43 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.646 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -55.26 -45.1 76.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.507 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.8 t -54.97 -48.34 73.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.714 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.1 tt -64.89 -49.19 71.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.4 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 mm -53.84 -30.73 19.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.726 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 19' ' ' PHE . 78.9 t -72.48 -52.37 23.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.395 -179.65 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 88.1 m -62.47 -30.96 71.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.159 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -69.45 -49.84 51.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.598 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 59.7 m -57.99 -35.99 72.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.526 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 65.0 mt -70.63 -48.65 57.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.546 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -49.67 -40.87 41.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.45 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.41 -48.25 67.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.432 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.8 mmtt -53.17 -33.27 51.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.652 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.28 -49.89 11.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.741 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.484 179.875 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.8 tttm . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.804 0.335 . . . . 0.0 110.557 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -58.89 -44.1 91.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.319 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.5 mt -65.6 -45.49 82.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.551 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -57.77 -50.88 71.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.656 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.8 mt -54.64 -45.91 73.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.529 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.6 mm -60.51 -52.99 55.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.632 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.8 m -54.41 -37.23 64.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.452 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 mt -69.02 -50.1 51.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.596 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.6 m -51.12 -42.38 60.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.486 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.0 t -67.2 -41.92 87.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.608 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.14 -35.8 92.57 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.567 ' CE2' HD11 ' A' ' 18' ' ' ILE . 62.1 t80 -65.28 -48.35 73.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.805 0.336 . . . . 0.0 110.486 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.2 -33.79 88.21 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.0 mm -72.22 -38.85 63.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.748 0.309 . . . . 0.0 110.417 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.48 -41.8 94.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.282 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.567 HD11 ' CE2' ' A' ' 14' ' ' PHE . 16.8 mt -63.62 -50.61 77.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.227 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.459 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.5 OUTLIER -60.25 -47.57 85.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.399 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.0 m -53.48 -38.08 63.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.659 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.1 -54.21 23.54 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.596 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.0 mt -52.95 -29.43 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.491 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 19' ' ' PHE . 75.2 t -74.43 -51.78 21.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.652 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 49.6 m -61.28 -31.47 71.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.331 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.447 ' CD1' ' C ' ' A' ' 25' ' ' TYR . 20.4 t80 -67.76 -48.52 66.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.561 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.5 m -56.37 -39.3 72.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.472 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 80.5 mt -69.26 -48.64 67.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.561 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -49.28 -38.36 26.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.664 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.64 -53.03 12.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.622 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -53.61 -24.63 14.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.448 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.69 -41.51 13.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.401 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.536 -179.946 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.6 tttp . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.839 0.352 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.28 -42.52 86.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.467 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.5 mt -63.51 -47.94 79.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.539 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -56.72 -35.71 68.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.605 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.7 mt -69.39 -47.56 63.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.665 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.7 mt -61.64 -39.91 84.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.54 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 91.1 m -61.81 -48.23 81.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.575 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 mp -56.43 -44.58 80.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.616 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.7 m -56.47 -50.99 70.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.602 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.8 t -56.85 -44.44 82.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.58 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.58 -44.11 97.08 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.644 ' CE2' HD11 ' A' ' 18' ' ' ILE . 53.6 t80 -65.93 -40.37 91.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.751 0.31 . . . . 0.0 110.523 -179.409 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.66 -42.74 99.43 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 57.2 mt -68.81 -40.66 81.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.712 0.292 . . . . 0.0 110.43 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.7 -39.44 73.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.648 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.644 HD11 ' CE2' ' A' ' 14' ' ' PHE . 40.6 mt -64.9 -52.53 52.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.494 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.552 ' O ' HG23 ' A' ' 23' ' ' VAL . 2.4 m-85 -59.92 -38.38 82.18 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.587 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 t -62.08 -43.07 99.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.612 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.1 tp -63.09 -48.52 78.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.558 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.0 mt -59.29 -31.1 45.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.576 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 19' ' ' PHE . 60.3 t -74.26 -51.19 24.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.519 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.8 m -61.9 -31.71 72.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.191 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -66.07 -46.85 76.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.45 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 98.9 m -57.09 -43.44 82.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.614 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 97.3 mt -61.19 -50.27 81.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.541 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.6 m-20 -59.34 -44.83 92.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.53 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.31 -50.21 67.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.567 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.9 mmtm -63.04 -42.3 99.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.622 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.58 -39.26 91.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.61 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.49 179.808 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 72.7 mttt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.848 0.356 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -61.62 -53.48 55.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.586 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.503 HD12 ' N ' ' A' ' 5' ' ' LEU . 10.8 mp -57.07 -38.31 73.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.561 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -67.92 -44.68 76.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.659 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.1 mt -55.71 -43.84 76.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.545 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.8 mt -63.19 -45.81 97.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.525 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 96.0 m -59.47 -40.07 85.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.506 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.3 -42.12 88.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.54 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 51.8 m -58.93 -38.55 79.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.53 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 96.4 t -66.06 -45.7 89.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.507 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.61 -38.44 93.72 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.789 ' CE2' HD11 ' A' ' 18' ' ' ILE . 88.8 t80 -66.42 -44.77 81.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.785 0.326 . . . . 0.0 110.636 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.04 -38.46 93.01 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 73.3 mt -67.72 -43.51 86.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.71 0.29 . . . . 0.0 110.488 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.16 -40.13 70.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.526 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.789 HD11 ' CE2' ' A' ' 14' ' ' PHE . 91.2 mt -62.45 -53.53 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.506 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.409 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -57.57 -45.16 85.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.611 179.868 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.24 -37.08 79.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.653 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.62 -53.11 59.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.495 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 83.4 mt -58.24 -31.58 42.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.722 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 19' ' ' PHE . 53.8 t -71.93 -49.5 44.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.632 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.409 HG22 ' ND2' ' A' ' 28' ' ' ASN . 54.2 m -64.96 -30.71 71.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.247 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.415 ' CD1' ' C ' ' A' ' 25' ' ' TYR . 30.1 t80 -65.85 -49.12 69.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.565 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 65.5 m -59.24 -45.77 90.28 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.622 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.6 mt -58.02 -41.39 80.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.589 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.409 ' ND2' HG22 ' A' ' 24' ' ' THR . 92.3 m-20 -69.35 -41.17 76.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.604 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.92 -38.69 67.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.517 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -73.71 -44.48 56.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.778 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.59 -27.67 58.57 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.471 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.54 179.93 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.1 tttp . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.807 0.337 . . . . 0.0 110.745 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -59.4 -54.0 51.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.782 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 mt -62.45 -34.47 76.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.511 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -57.68 -52.39 65.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.498 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.6 mt -59.81 -40.97 90.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.537 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.463 ' O ' HG23 ' A' ' 12' ' ' VAL . 4.1 mm -57.74 -49.5 80.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.641 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.7 m -63.36 -41.84 98.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.51 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 mt -58.89 -50.62 73.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.546 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 56.5 m -58.24 -43.96 88.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.76 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 8' ' ' ILE . 72.2 t -58.78 -47.72 88.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.532 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.72 -38.42 95.12 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.665 ' CE2' HD11 ' A' ' 18' ' ' ILE . 60.7 t80 -59.61 -52.24 66.4 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.016 -0.274 . . . . 0.0 110.331 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.76 -42.8 96.61 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.2 mt -63.21 -46.07 96.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.914 0.388 . . . . 0.0 110.68 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mp -55.62 -39.3 70.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.579 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.665 HD11 ' CE2' ' A' ' 14' ' ' PHE . 56.7 mt -66.57 -53.43 35.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.643 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.587 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -57.35 -42.07 81.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.634 -179.875 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.28 -38.89 84.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.427 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 tt -67.35 -52.0 45.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.5 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 83.0 mt -53.89 -29.45 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.62 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 19' ' ' PHE . 69.6 t -74.11 -49.86 31.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.333 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 92.8 m -61.76 -32.57 72.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.249 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -65.45 -48.4 72.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.7 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 85.7 m -56.37 -48.21 77.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.265 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.8 mm -57.18 -50.08 77.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.243 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -51.91 -45.27 64.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.636 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.67 -45.48 89.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.475 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.69 -31.45 70.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.466 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.84 -37.12 27.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.576 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.718 -179.897 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.714 0.293 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -57.69 -41.35 81.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.485 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 mt -71.58 -37.26 71.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.5 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -61.91 -43.63 98.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.524 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.7 mt -67.61 -43.83 79.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.582 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.4 mm -55.89 -52.99 43.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.554 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 95.6 m -55.18 -43.47 74.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.581 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 mp -61.85 -43.93 97.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.604 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.0 m -57.22 -45.01 84.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.565 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.506 HG12 HD11 ' A' ' 16' ' ' ILE . 39.5 t -66.81 -45.87 86.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.52 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.13 -33.34 74.34 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.64 ' CE2' HD11 ' A' ' 18' ' ' ILE . 65.5 t80 -71.89 -46.37 58.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.782 0.325 . . . . 0.0 110.502 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.49 -36.68 92.93 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.506 HD11 HG12 ' A' ' 12' ' ' VAL . 56.3 mt -71.16 -36.01 60.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.788 0.328 . . . . 0.0 110.545 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 tp -60.33 -43.84 96.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.538 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.64 HD11 ' CE2' ' A' ' 14' ' ' PHE . 45.4 mt -63.23 -49.42 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.474 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.613 ' O ' HG23 ' A' ' 23' ' ' VAL . 8.4 t80 -58.97 -45.2 91.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.49 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 p -58.31 -43.58 88.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.508 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.0 tt -59.54 -50.34 74.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.534 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.2 mm -58.11 -30.58 39.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.557 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 19' ' ' PHE . 95.1 t -74.07 -52.91 18.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.531 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 49.9 m -59.68 -32.14 70.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.565 179.228 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -66.07 -48.64 70.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.545 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 91.3 m -58.51 -36.22 73.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.562 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.6 mm -64.56 -43.58 96.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.551 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -61.92 -41.66 98.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.506 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.51 -45.53 83.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.559 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -61.17 -26.84 67.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.567 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.69 -36.28 16.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.609 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.624 179.863 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.8 mttt . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.787 0.327 . . . . 0.0 110.7 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -56.84 -40.66 76.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.518 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.3 mt -63.77 -32.33 73.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.678 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -65.54 -48.14 73.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.605 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.462 HD12 ' N ' ' A' ' 7' ' ' LEU . 10.7 mp -66.87 -41.11 87.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.625 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.47 ' O ' HG23 ' A' ' 12' ' ' VAL . 2.8 mm -55.22 -51.6 53.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.74 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 63.9 m -63.52 -41.47 98.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.445 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.69 -40.78 84.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.712 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.7 m -63.66 -46.54 85.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.589 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 8' ' ' ILE . 56.4 t -56.76 -43.6 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.398 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.73 -37.23 94.09 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.834 ' CE2' HD11 ' A' ' 18' ' ' ILE . 62.3 t80 -64.75 -48.45 74.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.718 0.294 . . . . 0.0 110.515 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.56 -44.57 90.74 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 90.7 mt -63.17 -40.67 89.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.764 0.316 . . . . 0.0 110.436 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 tp -58.86 -41.44 87.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.517 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.834 HD11 ' CE2' ' A' ' 14' ' ' PHE . 90.5 mt -62.11 -54.25 36.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.649 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.608 ' O ' HG23 ' A' ' 23' ' ' VAL . 2.3 m-85 -54.57 -47.79 72.84 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.506 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.32 -45.89 69.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.463 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.49 -44.94 96.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.573 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.3 mm -62.65 -36.55 75.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.838 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 19' ' ' PHE . 57.5 t -69.82 -51.58 39.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.356 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.436 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 85.2 m -61.29 -31.07 70.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.205 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' A' ' 25' ' ' TYR . 26.7 t80 -72.1 -46.68 55.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.574 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 85.4 m -55.24 -35.39 64.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.509 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 57.0 mt -71.62 -50.34 40.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.531 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.436 ' OD1' ' O ' ' A' ' 24' ' ' THR . 29.4 m120 -57.65 -30.93 65.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.45 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.7 -48.04 64.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.576 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -53.22 -43.24 67.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.65 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.15 -49.41 75.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.723 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.404 ' OD2' ' O ' ' A' ' 28' ' ' ASN . 5.9 m-20 . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.592 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.973 0.416 . . . . 0.0 110.543 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -70.51 -46.62 63.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.745 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.544 ' N ' HD22 ' A' ' 5' ' ' LEU . 3.8 mm? -58.35 -33.42 69.53 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.701 -179.597 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.18 -47.76 64.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.713 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.5 mt -59.87 -40.01 87.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.553 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.6 mm -64.04 -45.4 96.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.644 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.0 m -61.94 -42.38 99.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.456 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.1 tp -62.18 -42.59 99.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.505 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.2 m -58.64 -47.07 85.65 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.611 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.88 -39.73 86.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.659 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.74 -44.21 97.16 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.776 ' CE2' HD11 ' A' ' 18' ' ' ILE . 59.6 t80 -57.31 -51.5 69.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.909 0.385 . . . . 0.0 110.526 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.41 -38.83 88.99 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 69.4 mt -66.59 -50.6 65.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.673 0.273 . . . . 0.0 110.759 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 tp -53.84 -35.95 62.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.463 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.776 HD11 ' CE2' ' A' ' 14' ' ' PHE . 73.7 mt -64.0 -54.73 27.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.358 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.718 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -54.39 -46.1 73.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.485 179.505 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.33 -45.1 72.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.632 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 42.8 tp -58.71 -53.57 56.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.296 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.6 mt -55.96 -34.03 36.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.347 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 19' ' ' PHE . 75.1 t -69.91 -49.11 59.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.517 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.7 m -63.44 -30.67 71.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.472 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -70.55 -44.61 67.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.356 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 71.4 m -59.69 -39.88 86.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.45 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.9 mt -65.95 -46.58 87.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.521 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.424 ' O ' ' OD1' ' A' ' 32' ' ' ASP . 15.5 m120 -50.78 -40.95 56.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.602 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.51 -50.78 66.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.496 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -54.16 -31.82 53.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.557 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.19 -47.39 11.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.498 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' A' ' 28' ' ' ASN . 14.0 m-20 . . . . . 0 C--N 1.326 -0.425 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.576 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.771 0.32 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -56.68 -44.23 81.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.54 -179.508 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.2 mt -66.31 -46.04 78.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.621 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -56.29 -39.26 72.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.55 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.5 mt -67.87 -41.64 82.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.569 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.763 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.7 mm -58.36 -47.5 87.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.56 179.268 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 65.8 m -54.53 -49.32 70.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.574 179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.6 mt -60.81 -43.56 98.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.623 -179.023 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.5 m -62.19 -42.53 99.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.642 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 8' ' ' ILE . 52.1 t -60.06 -48.88 86.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.539 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.09 -46.86 93.13 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.709 ' CE2' HD11 ' A' ' 18' ' ' ILE . 78.6 t80 -57.91 -45.75 86.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.787 0.327 . . . . 0.0 110.61 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.8 -37.82 94.26 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.844 -0.903 . . . . 0.0 110.844 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 76.6 mt -71.29 -41.04 74.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.748 0.308 . . . . 0.0 110.583 -178.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 mp -56.53 -40.33 74.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.601 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.709 HD11 ' CE2' ' A' ' 14' ' ' PHE . 76.3 mt -63.55 -54.73 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.554 -179.435 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.523 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.5 OUTLIER -55.48 -47.0 76.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.558 179.702 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.2 m -59.74 -38.33 81.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.505 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.4 tt -62.05 -53.96 48.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.635 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 81.6 mt -52.46 -32.15 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.575 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 19' ' ' PHE . 99.2 t -72.17 -51.71 28.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.589 -179.519 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.9 m -62.29 -32.13 72.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.548 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -66.1 -42.76 88.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.577 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 90.8 m -62.22 -41.87 98.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.645 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 51.9 mt -65.05 -42.27 94.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.556 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -64.46 -48.63 74.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.618 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.28 -41.5 84.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.554 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt -57.89 -48.82 78.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.56 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.96 -39.52 94.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.611 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.595 -179.281 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.761 0.315 . . . . 0.0 110.578 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -63.2 -43.31 98.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.588 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.416 ' HA ' HD12 ' A' ' 8' ' ' ILE . 7.2 mt -62.4 -42.33 99.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.596 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -62.8 -47.8 81.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.6 -179.663 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.3 mt -58.17 -42.35 85.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.527 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 5' ' ' LEU . 44.9 mt -57.18 -50.58 76.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.593 179.49 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.9 m -51.81 -46.55 64.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.47 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 mp -66.95 -42.09 85.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.584 -179.552 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.8 m -53.86 -46.68 71.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.555 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.6 t -65.95 -44.86 92.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.543 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.35 -43.34 57.61 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.785 ' CE2' HD11 ' A' ' 18' ' ' ILE . 62.1 t80 -64.07 -49.29 72.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.816 0.341 . . . . 0.0 110.558 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.13 -40.56 93.81 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.7 mm -66.57 -43.31 90.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.751 0.31 . . . . 0.0 110.519 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.86 -39.1 80.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.519 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.785 HD11 ' CE2' ' A' ' 14' ' ' PHE . 86.8 mt -62.18 -53.76 43.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.568 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.672 ' O ' HG23 ' A' ' 23' ' ' VAL . 2.1 m-85 -58.48 -43.15 88.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.57 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.05 -45.99 82.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.593 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 57.6 tp -63.74 -50.91 67.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.629 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 68.9 mt -52.91 -33.0 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.543 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 19' ' ' PHE . 98.0 t -71.99 -52.79 22.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.609 -179.672 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 42.1 m -61.9 -31.67 71.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.544 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -64.7 -50.72 65.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.551 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 75.0 m -58.58 -38.5 78.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.586 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.2 mm -61.6 -49.34 84.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.568 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -61.13 -39.42 89.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.526 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.12 -48.68 80.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.577 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -53.47 -47.85 69.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.603 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.4 -42.26 92.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.618 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.633 -179.734 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 43.9 mttt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.809 0.337 . . . . 0.0 110.562 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -62.22 -52.19 64.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.552 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.7 mt -60.95 -35.14 75.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.592 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -58.98 -42.8 90.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.525 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.2 mt -63.28 -49.09 75.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.591 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.3 mm -57.83 -40.92 78.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.538 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 54.4 m -59.2 -45.62 90.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.604 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.1 mp -64.55 -37.13 86.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.602 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.1 m -60.94 -50.44 73.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.58 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.02 -43.25 98.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.617 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.2 -43.76 96.92 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.624 ' CE2' HD11 ' A' ' 18' ' ' ILE . 77.4 t80 -64.55 -38.14 90.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.779 0.323 . . . . 0.0 110.533 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.85 -44.19 98.35 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 59.4 mt -65.75 -39.57 85.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.777 0.322 . . . . 0.0 110.599 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 tp -56.48 -38.56 71.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.589 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.624 HD11 ' CE2' ' A' ' 14' ' ' PHE . 69.6 mt -66.11 -51.78 55.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.576 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.725 ' O ' HG23 ' A' ' 23' ' ' VAL . 2.9 m-85 -58.54 -40.62 83.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.593 179.755 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.1 m -60.91 -42.59 98.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.634 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 42.8 tp -60.6 -48.55 81.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.586 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.9 mt -58.55 -34.79 52.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.576 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 19' ' ' PHE . 58.8 t -69.59 -51.28 43.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.515 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 85.3 m -61.64 -30.91 71.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.551 179.612 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -66.78 -49.12 66.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.487 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 95.1 m -54.31 -42.68 70.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.525 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.1 mt -65.19 -50.67 72.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.576 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -48.11 -39.07 19.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.488 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.62 -50.44 44.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.578 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 71.6 mttt -60.29 -18.74 51.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.556 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.31 -47.61 9.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.547 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.617 179.949 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.0 tttp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.707 0.289 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -59.44 -40.62 87.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.669 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 mt -70.79 -40.42 72.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.496 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -61.91 -43.37 98.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.334 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 mt -62.85 -41.62 99.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.537 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.411 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.1 mm -62.97 -51.26 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.823 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 87.2 m -52.7 -39.57 62.12 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.364 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 tp -70.46 -52.17 24.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.787 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.0 m -49.09 -42.4 38.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.462 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 8' ' ' ILE . 58.6 t -69.01 -56.23 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.71 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -51.78 -41.21 50.56 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.548 ' CE2' HD11 ' A' ' 18' ' ' ILE . 67.3 t80 -57.98 -53.29 59.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.761 0.315 . . . . 0.0 110.744 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.12 -33.61 87.71 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.1 mm -66.98 -47.65 81.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.755 0.312 . . . . 0.0 110.678 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.9 mt -57.98 -42.41 85.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.42 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.548 HD11 ' CE2' ' A' ' 14' ' ' PHE . 24.2 mt -60.81 -53.01 54.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.661 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.573 ' O ' HG23 ' A' ' 23' ' ' VAL . 1.2 t80 -58.85 -46.89 86.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.512 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.5 t -54.06 -38.94 65.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.604 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.1 -47.39 58.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.52 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 mm -59.23 -28.73 40.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.763 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 19' ' ' PHE . 74.4 t -74.78 -52.25 19.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.968 0.413 . . . . 0.0 110.615 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 42.5 m -62.05 -31.77 72.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.965 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -67.49 -43.58 80.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.482 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 98.4 m -61.67 -43.01 99.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.563 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.0 mt -61.2 -44.5 98.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.557 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.432 ' O ' ' OD1' ' A' ' 32' ' ' ASP . 95.8 m-20 -62.55 -42.92 99.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.567 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.5 -43.38 97.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.576 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -59.48 -41.99 91.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.716 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.8 -45.94 76.8 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.835 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 28' ' ' ASN . 1.1 m-20 . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.663 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.459 ' CG ' ' N ' ' A' ' 4' ' ' GLU . 9.0 ptmm? . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.816 0.341 . . . . 0.0 110.5 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.459 ' N ' ' CG ' ' A' ' 3' ' ' LYS . 35.4 tt0 -57.63 -50.61 72.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.372 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.9 mt -56.88 -40.96 77.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.583 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -64.01 -50.08 69.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.607 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mt -53.99 -42.62 69.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.544 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.9 mm -60.04 -47.17 92.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.666 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.6 m -56.49 -41.76 77.15 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.554 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 10' ' ' LEU . 1.4 mm? -60.33 -44.96 95.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.74 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 60.1 m -60.12 -47.1 87.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 93.9 t -63.05 -44.15 99.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.654 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.73 -42.44 99.41 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.802 ' CE2' HD11 ' A' ' 18' ' ' ILE . 59.0 t80 -61.73 -46.32 90.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.793 0.33 . . . . 0.0 110.542 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.461 ' HA2' HD12 ' A' ' 18' ' ' ILE . . . -61.17 -43.52 99.3 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.3 mm -62.04 -46.22 96.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.798 0.332 . . . . 0.0 110.61 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mt -56.07 -39.06 71.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.502 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.802 HD11 ' CE2' ' A' ' 14' ' ' PHE . 67.9 mt -62.66 -53.5 46.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.278 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.507 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -61.52 -38.28 86.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.413 179.936 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.4 t -58.23 -44.85 88.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.576 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 21' ' ' LEU . 46.7 tp -64.63 -50.38 67.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.399 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 85.5 mt -52.45 -34.39 18.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.3 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 19' ' ' PHE . 67.4 t -68.99 -51.02 48.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.361 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.6 m -62.21 -28.92 70.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.266 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -66.89 -45.16 78.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.349 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 85.1 m -59.24 -40.6 86.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.596 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.6 mm -67.71 -48.4 76.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.6 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -49.51 -39.86 35.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.554 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.75 -51.79 56.35 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.578 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -57.08 -21.61 33.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.61 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.99 -43.88 13.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.603 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.616 -179.891 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.8 mttt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.832 0.349 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -67.36 -42.51 83.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.629 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.6 mt -62.73 -40.88 98.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.51 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -65.07 -38.47 90.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.73 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.9 mt -63.62 -43.8 95.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.726 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 82.5 mt -67.14 -38.0 80.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.586 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 85.9 m -69.42 -38.69 77.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.756 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mt -61.14 -44.6 97.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.488 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.3 m -61.34 -45.9 92.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.527 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.3 t -58.6 -49.64 81.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.521 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.22 -40.47 98.62 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -63.3 -52.03 63.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.651 0.263 . . . . 0.0 110.529 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.09 -38.29 55.75 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.9 mt -69.13 -40.96 81.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.767 0.318 . . . . 0.0 110.737 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 tp -56.38 -39.8 73.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.592 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.1 mm -66.52 -51.33 58.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.023 0.44 . . . . 0.0 110.321 -179.254 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.633 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -58.04 -46.84 84.7 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.362 179.912 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.0 m -56.52 -39.34 73.19 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.279 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.694 HD13 ' C ' ' A' ' 21' ' ' LEU . 3.1 tm? -61.43 -54.83 38.39 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.171 -0.611 . . . . 0.0 110.497 -179.2 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 54.0 mt -54.93 -29.95 22.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.768 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 19' ' ' PHE . 86.1 t -75.27 -51.32 21.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.54 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 84.1 m -61.09 -31.24 70.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.232 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -69.12 -50.53 47.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.711 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 76.0 m -54.94 -39.94 69.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.42 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 65.8 mt -64.42 -49.03 82.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.64 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -54.13 -43.73 70.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.547 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.72 -47.96 82.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.52 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.9 mttp -64.39 -41.53 96.62 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.629 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.81 -41.99 99.53 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.51 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.749 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.4 mmtm . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.813 0.34 . . . . 0.0 110.587 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -59.5 -46.6 88.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.524 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.501 ' N ' HD22 ' A' ' 5' ' ' LEU . 4.1 mm? -61.29 -39.49 90.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.657 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.75 -42.87 97.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.647 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.6 mt -59.19 -47.62 84.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.549 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.744 ' O ' HG23 ' A' ' 12' ' ' VAL . 11.5 mt -59.68 -38.43 75.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.567 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.9 m -63.39 -46.46 86.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.634 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 tt -60.72 -35.38 76.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.689 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.1 m -67.69 -41.66 83.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.516 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 8' ' ' ILE . 26.4 t -64.26 -37.18 79.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.547 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.58 -46.06 64.02 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.747 ' CE2' HD11 ' A' ' 18' ' ' ILE . 66.1 t80 -59.88 -43.09 94.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.815 0.341 . . . . 0.0 110.608 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.38 -40.45 99.07 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.7 mt -67.08 -43.71 88.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.691 0.281 . . . . 0.0 110.554 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 tp -56.39 -41.62 76.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.256 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.747 HD11 ' CE2' ' A' ' 14' ' ' PHE . 71.9 mt -61.13 -53.75 44.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.526 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.629 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -53.18 -49.41 66.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.531 179.781 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.8 p -59.23 -37.9 78.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.744 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 53.3 tp -66.97 -48.63 67.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.636 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.436 ' O ' ' SG ' ' A' ' 26' ' ' CYS . 56.5 mt -58.51 -26.86 32.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.511 -179.4 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 19' ' ' PHE . 91.6 t -74.09 -52.23 21.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.522 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.4 m -65.98 -31.89 73.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.48 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -65.94 -51.07 61.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.542 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.436 ' SG ' ' O ' ' A' ' 22' ' ' ILE . 76.9 m -57.67 -45.73 85.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.479 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.1 mm -58.78 -48.77 85.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.677 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -58.88 -48.16 82.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.596 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.77 -44.2 77.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.547 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.1 mmtm -60.68 -45.97 92.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.591 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.43 -41.16 93.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.709 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.705 -179.955 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.8 ptmm? . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.904 0.383 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -68.6 -46.21 69.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.463 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.533 ' N ' HD22 ' A' ' 5' ' ' LEU . 4.1 mm? -63.13 -29.91 71.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.691 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -68.92 -41.08 78.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.382 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.4 mt -61.71 -41.0 97.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.461 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.696 ' O ' HG23 ' A' ' 12' ' ' VAL . 49.9 mm -64.44 -41.82 93.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.564 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 34.5 m -64.3 -44.9 90.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.571 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 mt -55.0 -40.63 70.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.548 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.8 m -68.85 -45.47 71.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.567 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 8' ' ' ILE . 60.9 t -54.39 -41.67 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.548 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.97 -46.22 82.84 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.76 ' CE2' HD11 ' A' ' 18' ' ' ILE . 79.4 t80 -58.85 -43.32 90.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.9 0.381 . . . . 0.0 110.537 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.02 -45.87 93.29 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 74.1 mt -63.57 -39.78 86.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.918 0.389 . . . . 0.0 110.409 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.95 -40.54 80.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.621 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.76 HD11 ' CE2' ' A' ' 14' ' ' PHE . 81.8 mt -62.59 -51.81 67.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.416 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.827 ' O ' HG23 ' A' ' 23' ' ' VAL . 39.3 t80 -55.78 -44.75 78.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.573 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.17 -43.29 99.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.592 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.7 tp -56.25 -52.77 63.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.297 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 73.0 mt -56.95 -35.93 48.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.83 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' ' 19' ' ' PHE . 61.1 t -64.72 -51.79 62.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.631 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.491 ' HA ' HD12 ' A' ' 27' ' ' ILE . 78.9 m -65.62 -31.05 71.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.276 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -60.76 -41.24 95.09 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.606 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.7 m -70.42 -44.58 67.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.623 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.491 HD12 ' HA ' ' A' ' 24' ' ' THR . 96.5 mt -50.68 -43.08 23.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.482 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -67.3 -45.99 74.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.487 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.31 -38.23 73.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.634 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -73.53 -46.26 48.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.71 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.66 -35.93 44.22 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.53 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 . . . . . 0 C--N 1.325 -0.494 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.503 -179.89 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.2 mttt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.781 0.325 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -64.14 -49.01 73.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.538 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.547 HD12 ' N ' ' A' ' 5' ' ' LEU . 9.8 mp -56.57 -36.49 69.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.549 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -61.83 -49.32 76.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.533 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.2 mt -62.47 -41.0 98.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.556 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 75.6 mt -60.36 -49.7 83.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.489 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 89.8 m -59.88 -41.95 92.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.594 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.04 -46.11 78.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.55 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.1 m -59.84 -47.84 84.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.496 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 82.5 t -53.91 -48.74 62.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.513 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.14 -47.44 88.24 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.815 ' CE2' HD11 ' A' ' 18' ' ' ILE . 56.3 t80 -57.74 -43.98 85.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.781 0.324 . . . . 0.0 110.597 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.98 -41.12 97.76 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 69.2 mt -67.19 -43.65 88.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.769 0.319 . . . . 0.0 110.56 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 mp -57.0 -44.1 82.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.59 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.815 HD11 ' CE2' ' A' ' 14' ' ' PHE . 62.2 mt -57.2 -54.38 31.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.597 179.497 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.653 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -58.45 -39.59 80.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.494 -179.71 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.3 m -63.84 -38.24 90.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.573 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.51 -47.81 84.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.532 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 36.3 mt -63.04 -30.13 48.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.594 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 19' ' ' PHE . 92.7 t -70.75 -51.84 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.463 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.8 m -63.85 -30.69 71.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.538 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -66.02 -44.89 83.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.557 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 93.7 m -58.91 -45.61 89.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.6 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.2 mt -60.74 -47.69 92.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.541 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -56.55 -41.34 76.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.587 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.21 -45.43 94.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.565 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.0 mttt -57.39 -44.85 84.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.51 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.26 -48.75 80.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.574 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.557 -179.876 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.75 -35.66 71.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.548 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.7 mttp -60.29 -52.0 67.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.586 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -57.52 -40.62 79.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.577 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.2 mt -65.44 -44.21 88.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.59 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -60.19 -41.99 94.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.447 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.2 mt -62.38 -44.8 95.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.584 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 54.5 mt -61.18 -44.23 97.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.565 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.4 m -60.2 -43.06 96.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.507 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.597 HD23 ' O ' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -65.2 -36.5 84.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.547 179.881 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 63.4 m -59.69 -42.78 93.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.511 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 82.1 t -66.31 -42.88 91.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.573 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.11 -46.42 91.55 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.864 ' CE2' HD11 ' A' ' 18' ' ' ILE . 35.8 t80 -63.32 -38.96 93.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.736 0.303 . . . . 0.0 110.666 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.15 -40.26 97.89 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.4 mt -62.64 -42.9 97.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.709 0.29 . . . . 0.0 110.357 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mt -60.33 -42.86 96.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.484 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.864 HD11 ' CE2' ' A' ' 14' ' ' PHE . 89.3 mt -56.95 -53.74 38.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.485 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.447 ' O ' HG23 ' A' ' 23' ' ' VAL . 5.8 t80 -57.3 -49.3 76.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.553 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.91 -43.45 69.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.52 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.65 -49.46 75.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.532 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 43.6 mt -59.8 -27.0 37.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.722 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 19' ' ' PHE . 53.8 t -74.61 -50.16 27.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.592 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 91.2 m -67.76 -32.54 73.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.401 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.491 ' CD1' ' C ' ' A' ' 25' ' ' TYR . 11.6 t80 -65.23 -46.46 80.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.412 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 97.3 m -61.13 -39.45 90.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.398 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.8 mt -68.51 -42.26 83.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.418 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -56.45 -41.4 76.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.374 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.27 -43.15 78.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.568 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -53.82 -45.93 70.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.67 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.528 ' HA ' HD12 ' A' ' 34' ' ' LEU . . . -63.31 -43.72 97.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.705 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.524 ' HA ' ' HB3' ' A' ' 37' ' ' ALA . 1.8 m-20 -58.11 -29.36 65.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.72 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.8 t -88.67 -43.37 15.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 31' ' ' ALA . 10.4 mt -45.75 -36.13 4.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.701 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.62 ' O ' ' C ' ' A' ' 36' ' ' ILE . 78.1 m-85 -135.11 73.47 1.48 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.521 178.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.62 ' C ' ' O ' ' A' ' 35' ' ' PHE . 18.4 mm 1.51 70.89 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 O-C-N 124.4 1.062 . . . . 0.0 111.081 179.507 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.582 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -109.08 161.37 24.04 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.138 -178.462 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.582 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 51.4 Cg_exo -40.67 135.66 2.05 Favored 'Trans proline' 0 C--N 1.304 -1.801 0 C-N-CA 122.939 2.426 . . . . 0.0 112.216 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.39 133.95 37.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.514 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.26 158.12 67.77 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 121.133 0.492 . . . . 0.0 110.578 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -64.91 117.86 4.91 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.719 2.279 . . . . 0.0 112.224 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 49.28 21.38 2.79 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.869 -0.893 . . . . 0.0 110.869 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 48.84 23.45 0.68 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.823 0.344 . . . . 0.0 110.529 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.8 t -81.56 119.75 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.518 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.5 p -68.24 145.66 54.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.56 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.508 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.414 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.414 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 1.1 p 75.47 -0.24 3.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.575 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -61.6 -47.57 84.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.598 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -60.86 -40.03 91.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.439 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.502 HD12 ' N ' ' A' ' 5' ' ' LEU . 10.7 mp -62.83 -42.74 99.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.525 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -63.28 -44.57 94.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.636 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.7 mt -60.31 -47.77 84.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.561 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.562 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.7 mm -60.2 -46.07 95.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.693 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.1 m -57.24 -47.07 82.3 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.518 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mp -57.28 -41.92 80.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.582 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 51.7 m -65.34 -42.49 92.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.445 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 8' ' ' ILE . 84.8 t -57.7 -48.27 83.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.495 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.97 -39.09 95.14 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.777 ' CE2' HD11 ' A' ' 18' ' ' ILE . 71.8 t80 -65.31 -39.73 92.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.906 0.384 . . . . 0.0 110.546 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.65 -43.17 96.78 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 63.7 mt -67.32 -34.29 68.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.747 0.308 . . . . 0.0 110.366 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 tp -64.05 -39.49 94.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.391 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.777 HD11 ' CE2' ' A' ' 14' ' ' PHE . 62.7 mt -63.5 -51.27 72.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.497 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.745 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -57.39 -49.17 77.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.665 179.861 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.2 m -58.74 -39.8 81.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.508 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 49.9 tp -61.22 -50.99 70.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.409 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.5 mt -61.76 -28.04 43.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.602 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 19' ' ' PHE . 89.5 t -74.43 -51.14 23.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.426 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.3 m -61.58 -30.85 70.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.188 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -66.95 -51.89 49.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.679 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 68.3 m -55.66 -35.66 66.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.405 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.3 mm -69.38 -49.5 59.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.64 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -55.06 -38.71 68.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.401 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.643 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -65.43 -46.66 79.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.574 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -61.74 -27.34 68.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.713 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.42 -40.77 16.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.75 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -58.19 -28.17 64.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.417 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 29' ' ' ALA . 98.5 t -60.38 -19.16 17.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.701 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.572 HD12 ' N ' ' A' ' 34' ' ' LEU . 9.1 mp -94.22 13.63 22.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.87 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.504 ' O ' ' N ' ' A' ' 37' ' ' ALA . 18.2 m-85 -118.38 80.55 1.54 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.753 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.841 HD12 ' N ' ' A' ' 36' ' ' ILE . 2.6 mp 36.22 29.53 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.521 -0.163 0 CA-C-O 121.213 0.53 . . . . 0.0 110.481 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.555 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -46.05 160.63 0.29 Allowed Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.603 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.555 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 43.0 Cg_endo -69.96 153.68 67.74 Favored 'Trans proline' 0 C--N 1.308 -1.591 0 C-N-CA 122.722 2.281 . . . . 0.0 112.203 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -83.02 159.09 22.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.363 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.498 ' CD ' ' N ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -116.96 160.42 37.04 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.612 -179.762 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -38.88 139.9 0.44 Allowed 'Trans proline' 0 C--N 1.309 -1.548 0 C-N-CA 122.708 2.272 . . . . 0.0 112.355 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.65 -41.12 2.21 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.59 -8.79 59.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.719 0.295 . . . . 0.0 110.698 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.6 t 58.8 154.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.652 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.1 160.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.466 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 39.8 p90 . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.618 -179.944 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 p -147.51 160.77 42.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.573 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.21 -37.52 62.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.598 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -66.18 -52.41 48.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.561 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.6 mt -58.21 -35.33 71.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.524 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.5 -48.04 81.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.546 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.0 mt -60.46 -46.03 91.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.687 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.487 ' O ' HG23 ' A' ' 12' ' ' VAL . 96.4 mt -60.31 -39.25 80.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.41 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.7 m -61.64 -47.12 86.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.524 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.9 -50.72 72.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.68 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 42.2 m -54.66 -44.42 73.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.476 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 8' ' ' ILE . 57.0 t -62.21 -45.36 98.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.471 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.08 -34.87 90.4 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.722 ' CE2' HD11 ' A' ' 18' ' ' ILE . 50.3 t80 -68.99 -43.02 75.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.75 0.31 . . . . 0.0 110.493 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.58 -35.48 91.87 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 80.4 mt -71.91 -39.88 67.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.727 0.299 . . . . 0.0 110.407 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.11 -35.77 74.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.395 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.722 HD11 ' CE2' ' A' ' 14' ' ' PHE . 76.0 mt -68.75 -51.72 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.441 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.631 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -55.73 -42.0 74.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.534 179.861 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.4 t -63.2 -39.74 95.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.506 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.25 -53.16 60.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.513 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.4 mt -58.48 -31.42 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.762 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 19' ' ' PHE . 54.2 t -68.37 -49.89 62.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.472 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.0 m -66.87 -31.34 71.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.266 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -66.36 -45.71 79.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.706 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 93.7 m -60.37 -44.75 95.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.589 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 83.6 mt -58.4 -41.9 82.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.474 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -65.15 -46.55 80.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.6 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.64 -41.19 69.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.442 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -63.83 -46.69 83.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.637 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.443 ' HA ' HD12 ' A' ' 34' ' ' LEU . . . -61.47 -39.59 91.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.611 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.601 ' HA ' ' HB2' ' A' ' 37' ' ' ALA . 1.1 m-20 -57.82 -43.54 85.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.634 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.7 t -73.82 -46.17 47.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.034 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 31' ' ' ALA . 10.2 mt -45.48 -37.03 4.86 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.402 -179.276 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.577 ' O ' ' C ' ' A' ' 36' ' ' ILE . 94.3 m-85 -136.06 74.0 1.48 Allowed 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.528 178.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.577 ' C ' ' O ' ' A' ' 35' ' ' PHE . 18.4 mm -0.21 70.51 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 O-C-N 124.761 1.288 . . . . 0.0 110.876 179.29 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.601 ' HB2' ' HA ' ' A' ' 32' ' ' ASP . . . -40.15 160.23 0.12 Allowed Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.591 -179.212 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.517 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 44.2 Cg_endo -70.74 -171.55 0.57 Allowed 'Trans proline' 0 C--N 1.307 -1.653 0 C-N-CA 122.67 2.246 . . . . 0.0 111.956 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -121.39 154.24 36.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.492 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.432 ' C ' ' H ' ' A' ' 42' ' ' GLY . 0.5 OUTLIER -101.06 161.81 22.54 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.602 -179.729 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -71.85 29.2 0.25 Allowed 'Trans proline' 0 C--N 1.309 -1.548 0 C-N-CA 122.734 2.289 . . . . 0.0 112.159 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.432 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . 52.42 25.12 19.15 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -135.96 102.18 4.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.809 0.338 . . . . 0.0 110.629 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.5 t -52.44 100.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.541 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.8 t -145.18 178.13 8.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.579 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.5 t80 . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.556 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.9 m -64.78 -12.04 43.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.55 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -62.3 -34.81 77.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.48 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.92 -45.58 94.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.479 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.509 ' N ' HD22 ' A' ' 5' ' ' LEU . 4.3 mm? -62.63 -39.21 93.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.486 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.3 -46.2 90.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.518 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.7 mt -57.42 -42.28 82.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.577 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 90.8 mt -65.29 -43.54 95.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.649 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 82.0 m -58.31 -48.34 80.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.396 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.64 -37.55 86.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.471 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 61.3 m -52.59 -49.57 64.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.54 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.6 t -64.0 -42.85 97.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.644 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.52 -40.28 97.55 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.785 ' CE2' HD11 ' A' ' 18' ' ' ILE . 81.9 t80 -65.65 -40.2 92.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.321 . . . . 0.0 110.523 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.67 -39.02 97.1 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 97.5 mt -68.12 -41.72 84.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.738 0.304 . . . . 0.0 110.412 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 tt -56.89 -42.25 79.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.508 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.785 HD11 ' CE2' ' A' ' 14' ' ' PHE . 39.0 mt -62.12 -53.59 45.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.43 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.646 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -55.26 -45.1 76.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.507 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.8 t -54.97 -48.34 73.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.714 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.1 tt -64.89 -49.19 71.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.4 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 mm -53.84 -30.73 19.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.726 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 19' ' ' PHE . 78.9 t -72.48 -52.37 23.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.395 -179.65 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 88.1 m -62.47 -30.96 71.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.159 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -69.45 -49.84 51.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.598 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 59.7 m -57.99 -35.99 72.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.526 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 65.0 mt -70.63 -48.65 57.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.546 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -49.67 -40.87 41.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.45 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.64 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -67.41 -48.25 67.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.432 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.8 mmtt -53.17 -33.27 51.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.652 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.28 -49.89 11.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.741 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -51.61 -26.66 9.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.484 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 29' ' ' ALA . 80.5 t -65.85 -15.29 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.81 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.589 HD12 ' N ' ' A' ' 34' ' ' LEU . 10.2 mp -99.41 0.07 41.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.709 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.428 ' O ' ' C ' ' A' ' 36' ' ' ILE . 77.3 m-85 -135.12 79.92 1.81 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.411 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.428 ' C ' ' O ' ' A' ' 35' ' ' PHE . 23.9 mm 35.03 64.17 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.52 -0.176 0 CA-C-O 121.277 0.561 . . . . 0.0 110.341 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.614 ' HB2' ' HA ' ' A' ' 33' ' ' VAL . . . -42.77 162.14 0.17 Allowed Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.508 -179.526 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.565 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 48.1 Cg_endo -71.61 166.92 27.93 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.622 2.214 . . . . 0.0 112.005 179.684 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.41 ' O ' ' CG ' ' A' ' 39' ' ' ARG . 4.6 ptp180 -121.96 129.4 52.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.673 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -55.42 152.95 15.37 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.604 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -64.73 90.45 0.19 Allowed 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 122.859 2.373 . . . . 0.0 112.201 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.407 ' C ' ' N ' ' A' ' 44' ' ' VAL . . . 109.36 9.25 25.81 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.45 -22.8 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.899 0.38 . . . . 0.0 110.644 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.407 ' N ' ' C ' ' A' ' 42' ' ' GLY . 67.1 t -74.99 -62.33 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.649 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t -73.57 -58.3 3.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.557 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.559 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m 53.02 33.76 15.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.577 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.8 tttm -65.04 -42.53 94.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.557 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -58.89 -44.1 91.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.319 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.5 mt -65.6 -45.49 82.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.551 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -57.77 -50.88 71.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.656 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.8 mt -54.64 -45.91 73.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.529 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.6 mm -60.51 -52.99 55.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.632 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.8 m -54.41 -37.23 64.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.452 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 mt -69.02 -50.1 51.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.596 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.6 m -51.12 -42.38 60.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.486 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.0 t -67.2 -41.92 87.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.608 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.14 -35.8 92.57 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.567 ' CE2' HD11 ' A' ' 18' ' ' ILE . 62.1 t80 -65.28 -48.35 73.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.805 0.336 . . . . 0.0 110.486 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.2 -33.79 88.21 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.0 mm -72.22 -38.85 63.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.748 0.309 . . . . 0.0 110.417 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.48 -41.8 94.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.282 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.567 HD11 ' CE2' ' A' ' 14' ' ' PHE . 16.8 mt -63.62 -50.61 77.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.227 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.459 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.5 OUTLIER -60.25 -47.57 85.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.399 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.0 m -53.48 -38.08 63.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.659 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.1 -54.21 23.54 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.596 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.0 mt -52.95 -29.43 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.491 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 19' ' ' PHE . 75.2 t -74.43 -51.78 21.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.652 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 49.6 m -61.28 -31.47 71.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.331 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.447 ' C ' ' CD1' ' A' ' 25' ' ' TYR . 20.4 t80 -67.76 -48.52 66.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.561 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.5 m -56.37 -39.3 72.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.472 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 80.5 mt -69.26 -48.64 67.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.561 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -49.28 -38.36 26.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.664 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.544 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -72.64 -53.03 12.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.622 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -53.61 -24.63 14.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.448 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.69 -41.51 13.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.401 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -58.85 -23.84 61.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.536 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 29' ' ' ALA . 78.2 t -63.9 -13.85 14.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.654 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.557 ' N ' HD12 ' A' ' 34' ' ' LEU . 8.4 mp -98.61 8.02 45.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.655 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.551 ' O ' ' N ' ' A' ' 37' ' ' ALA . 28.7 m-85 -108.66 80.01 1.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.431 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.875 ' N ' HD12 ' A' ' 36' ' ' ILE . 2.9 mp 35.71 28.3 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.571 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.561 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -46.65 160.61 0.31 Allowed Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.525 -179.682 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.561 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 32.5 Cg_endo -65.5 165.33 23.04 Favored 'Trans proline' 0 C--N 1.304 -1.801 0 C-N-CA 122.739 2.293 . . . . 0.0 112.018 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.92 154.33 20.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.554 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.565 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 1.0 OUTLIER -71.29 156.41 91.73 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.563 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -66.76 14.37 0.13 Allowed 'Trans proline' 0 C--N 1.303 -1.856 0 C-N-CA 122.869 2.379 . . . . 0.0 111.919 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.496 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . 60.73 21.66 58.55 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 60.64 18.74 8.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.739 0.304 . . . . 0.0 110.605 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.693 HG12 ' H ' ' A' ' 45' ' ' SER . 10.9 t 40.48 -129.93 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.283 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.693 ' H ' HG12 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -96.6 165.66 12.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.522 -179.883 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.6 t80 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.536 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 61.03 4.92 0.9 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.611 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -61.99 -46.89 87.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.605 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.28 -42.52 86.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.467 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.5 mt -63.51 -47.94 79.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.539 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -56.72 -35.71 68.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.605 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.7 mt -69.39 -47.56 63.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.665 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.7 mt -61.64 -39.91 84.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.54 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 91.1 m -61.81 -48.23 81.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.575 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 mp -56.43 -44.58 80.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.616 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.7 m -56.47 -50.99 70.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.602 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.8 t -56.85 -44.44 82.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.58 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.58 -44.11 97.08 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.644 ' CE2' HD11 ' A' ' 18' ' ' ILE . 53.6 t80 -65.93 -40.37 91.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.751 0.31 . . . . 0.0 110.523 -179.409 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.66 -42.74 99.43 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 57.2 mt -68.81 -40.66 81.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.712 0.292 . . . . 0.0 110.43 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.7 -39.44 73.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.648 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.644 HD11 ' CE2' ' A' ' 14' ' ' PHE . 40.6 mt -64.9 -52.53 52.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.494 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.552 ' O ' HG23 ' A' ' 23' ' ' VAL . 2.4 m-85 -59.92 -38.38 82.18 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.587 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 t -62.08 -43.07 99.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.612 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.1 tp -63.09 -48.52 78.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.558 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.0 mt -59.29 -31.1 45.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.576 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 19' ' ' PHE . 60.3 t -74.26 -51.19 24.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.519 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.8 m -61.9 -31.71 72.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.191 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -66.07 -46.85 76.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.45 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 98.9 m -57.09 -43.44 82.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.614 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 97.3 mt -61.19 -50.27 81.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.541 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.6 m-20 -59.34 -44.83 92.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.53 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.31 -50.21 67.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.567 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.9 mmtm -63.04 -42.3 99.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.622 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.475 ' HA ' HD12 ' A' ' 34' ' ' LEU . . . -65.58 -39.26 91.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.61 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.55 ' HA ' ' HB3' ' A' ' 37' ' ' ALA . 53.5 m-20 -56.85 -43.78 81.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.49 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.2 t -71.41 -46.09 65.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.078 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 31' ' ' ALA . 8.6 mt -45.98 -37.8 6.97 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.711 -179.448 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.603 ' O ' ' C ' ' A' ' 36' ' ' ILE . 98.0 m-85 -134.71 73.26 1.48 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.609 178.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.603 ' C ' ' O ' ' A' ' 35' ' ' PHE . 17.9 mm 2.7 66.19 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 O-C-N 124.525 1.141 . . . . 0.0 110.849 179.387 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.597 ' N ' ' O ' ' A' ' 35' ' ' PHE . . . -114.22 88.77 15.73 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.36 -179.381 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.42 171.14 0.3 Allowed 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.693 2.262 . . . . 0.0 111.928 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -115.55 139.38 50.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.489 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.69 156.83 0.34 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.577 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.475 ' C ' ' H ' ' A' ' 43' ' ' ALA . 29.5 Cg_endo -63.1 -83.87 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.859 2.373 . . . . 0.0 112.232 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . 59.23 2.07 1.29 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.475 ' H ' ' C ' ' A' ' 41' ' ' PRO . . . 64.51 28.85 13.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.819 0.342 . . . . 0.0 110.623 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 73.7 t -78.65 -64.36 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.604 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.8 m -94.48 57.8 2.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.569 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 31.6 t80 . . . . . 0 C--O 1.218 -0.567 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.596 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.486 ' C ' ' H ' ' A' ' 3' ' ' LYS . . . . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.01 -3.95 0.28 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.494 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.486 ' H ' ' C ' ' A' ' 1' ' ' ALA . 72.7 mttt -63.1 -35.72 81.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.602 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -61.62 -53.48 55.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.586 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.503 HD12 ' N ' ' A' ' 5' ' ' LEU . 10.8 mp -57.07 -38.31 73.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.561 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -67.92 -44.68 76.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.659 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.1 mt -55.71 -43.84 76.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.545 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.8 mt -63.19 -45.81 97.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.525 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 96.0 m -59.47 -40.07 85.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.506 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.3 -42.12 88.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.54 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 51.8 m -58.93 -38.55 79.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.53 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 96.4 t -66.06 -45.7 89.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.507 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.61 -38.44 93.72 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.789 ' CE2' HD11 ' A' ' 18' ' ' ILE . 88.8 t80 -66.42 -44.77 81.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.785 0.326 . . . . 0.0 110.636 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.04 -38.46 93.01 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 73.3 mt -67.72 -43.51 86.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.71 0.29 . . . . 0.0 110.488 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.16 -40.13 70.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.526 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.789 HD11 ' CE2' ' A' ' 14' ' ' PHE . 91.2 mt -62.45 -53.53 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.506 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.409 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -57.57 -45.16 85.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.611 179.868 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.24 -37.08 79.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.653 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.62 -53.11 59.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.495 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 83.4 mt -58.24 -31.58 42.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.722 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 19' ' ' PHE . 53.8 t -71.93 -49.5 44.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.632 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.409 HG22 ' ND2' ' A' ' 28' ' ' ASN . 54.2 m -64.96 -30.71 71.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.247 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.415 ' CD1' ' C ' ' A' ' 25' ' ' TYR . 30.1 t80 -65.85 -49.12 69.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.565 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 65.5 m -59.24 -45.77 90.28 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.622 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.6 mt -58.02 -41.39 80.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.589 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.409 ' ND2' HG22 ' A' ' 24' ' ' THR . 92.3 m-20 -69.35 -41.17 76.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.604 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.92 -38.69 67.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.517 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -73.71 -44.48 56.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.778 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.59 -27.67 58.57 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.471 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.562 ' HA ' ' HB3' ' A' ' 37' ' ' ALA . 19.4 m-20 -59.36 -17.71 32.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.54 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.613 ' O ' HG12 ' A' ' 33' ' ' VAL . 61.3 t -98.25 2.24 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.583 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.544 HD12 ' C ' ' A' ' 33' ' ' VAL . 10.5 mp -105.62 -30.64 9.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.939 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -133.96 -157.44 0.81 Allowed 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.284 0.564 . . . . 0.0 110.106 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.565 ' O ' HG22 ' A' ' 36' ' ' ILE . 3.9 mp -95.09 10.24 4.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.488 -179.495 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.603 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -43.25 162.73 0.17 Allowed Pre-proline 0 C--N 1.318 -0.763 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.548 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.603 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 56.2 Cg_exo -40.24 126.24 1.97 Allowed 'Trans proline' 0 C--N 1.311 -1.444 0 C-N-CA 122.787 2.325 . . . . 0.0 112.229 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -66.36 155.62 36.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.472 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.541 ' O ' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -103.93 161.7 22.15 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.578 -179.775 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_exo -41.24 -16.72 0.05 OUTLIER 'Trans proline' 0 C--N 1.309 -1.542 0 C-N-CA 122.769 2.313 . . . . 0.0 112.554 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 40' ' ' GLU . . . 107.06 -42.74 1.85 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -150.09 124.5 9.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.78 0.324 . . . . 0.0 110.545 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.5 t -52.21 -64.0 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.551 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.32 141.83 28.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.565 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.549 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.09 -12.63 20.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.45 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.1 tttp -59.63 -33.05 71.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.745 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -59.4 -54.0 51.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.782 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 mt -62.45 -34.47 76.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.511 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -57.68 -52.39 65.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.498 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.6 mt -59.81 -40.97 90.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.537 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.463 ' O ' HG23 ' A' ' 12' ' ' VAL . 4.1 mm -57.74 -49.5 80.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.641 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.7 m -63.36 -41.84 98.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.51 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 mt -58.89 -50.62 73.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.546 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 56.5 m -58.24 -43.96 88.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.76 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 8' ' ' ILE . 72.2 t -58.78 -47.72 88.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.532 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.72 -38.42 95.12 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.665 ' CE2' HD11 ' A' ' 18' ' ' ILE . 60.7 t80 -59.61 -52.24 66.4 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.016 -0.274 . . . . 0.0 110.331 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.76 -42.8 96.61 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.2 mt -63.21 -46.07 96.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.914 0.388 . . . . 0.0 110.68 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mp -55.62 -39.3 70.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.579 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.665 HD11 ' CE2' ' A' ' 14' ' ' PHE . 56.7 mt -66.57 -53.43 35.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.643 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.587 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -57.35 -42.07 81.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.634 -179.875 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.28 -38.89 84.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.427 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 tt -67.35 -52.0 45.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.5 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 83.0 mt -53.89 -29.45 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.62 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 19' ' ' PHE . 69.6 t -74.11 -49.86 31.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.333 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 92.8 m -61.76 -32.57 72.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.249 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -65.45 -48.4 72.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.7 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 85.7 m -56.37 -48.21 77.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.265 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.8 mm -57.18 -50.08 77.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.243 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -51.91 -45.27 64.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.636 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.508 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -63.67 -45.48 89.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.475 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.69 -31.45 70.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.466 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.84 -37.12 27.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.576 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -60.44 -30.59 69.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.718 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.57 ' HA ' ' HB2' ' A' ' 37' ' ' ALA . 93.6 t -62.32 -17.6 18.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.711 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.515 HD22 ' N ' ' A' ' 34' ' ' LEU . 3.9 mm? -96.29 -0.75 49.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.618 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.49 ' O ' ' C ' ' A' ' 36' ' ' ILE . 58.1 m-85 -134.46 79.82 1.82 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.493 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.49 ' C ' ' O ' ' A' ' 35' ' ' PHE . 20.7 mm 32.22 64.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.278 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.607 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -42.4 162.42 0.16 Allowed Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.599 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.607 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 48.2 Cg_endo -71.07 132.78 21.86 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.884 2.389 . . . . 0.0 111.966 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -113.1 139.12 48.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.685 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.567 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -126.71 163.84 38.5 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.583 -179.811 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -41.48 132.34 3.59 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.817 2.345 . . . . 0.0 112.424 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.54 -33.92 5.99 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.26 -7.51 1.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.764 0.316 . . . . 0.0 110.652 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.7 t -62.11 -37.81 79.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.531 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 p -108.98 172.38 6.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.685 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.546 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.07 -41.77 75.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.512 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt -64.65 -43.7 92.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.52 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -57.69 -41.35 81.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.485 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 mt -71.58 -37.26 71.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.5 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -61.91 -43.63 98.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.524 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.7 mt -67.61 -43.83 79.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.582 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.4 mm -55.89 -52.99 43.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.554 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 95.6 m -55.18 -43.47 74.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.581 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 mp -61.85 -43.93 97.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.604 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.0 m -57.22 -45.01 84.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.565 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.506 HG12 HD11 ' A' ' 16' ' ' ILE . 39.5 t -66.81 -45.87 86.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.52 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.13 -33.34 74.34 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.64 ' CE2' HD11 ' A' ' 18' ' ' ILE . 65.5 t80 -71.89 -46.37 58.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.782 0.325 . . . . 0.0 110.502 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.49 -36.68 92.93 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.506 HD11 HG12 ' A' ' 12' ' ' VAL . 56.3 mt -71.16 -36.01 60.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.788 0.328 . . . . 0.0 110.545 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 tp -60.33 -43.84 96.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.538 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.64 HD11 ' CE2' ' A' ' 14' ' ' PHE . 45.4 mt -63.23 -49.42 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.474 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.613 ' O ' HG23 ' A' ' 23' ' ' VAL . 8.4 t80 -58.97 -45.2 91.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.49 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 p -58.31 -43.58 88.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.508 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.0 tt -59.54 -50.34 74.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.534 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.2 mm -58.11 -30.58 39.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.557 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 19' ' ' PHE . 95.1 t -74.07 -52.91 18.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.531 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 49.9 m -59.68 -32.14 70.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.565 179.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -66.07 -48.64 70.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.545 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 91.3 m -58.51 -36.22 73.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.562 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.6 mm -64.56 -43.58 96.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.551 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -61.92 -41.66 98.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.506 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.769 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -65.51 -45.53 83.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.559 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -61.17 -26.84 67.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.567 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.69 -36.28 16.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.609 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -61.45 -29.04 69.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.624 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.769 HG23 ' O ' ' A' ' 29' ' ' ALA . 44.4 t -64.41 -16.12 18.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.617 -179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.586 HD12 ' N ' ' A' ' 34' ' ' LEU . 10.4 mp -94.25 0.93 55.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.551 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -133.97 -155.78 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.504 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.9 mm -77.63 61.35 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.538 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.528 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -41.54 159.98 0.16 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.546 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.528 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 43.7 Cg_endo -68.53 131.41 22.96 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.776 2.317 . . . . 0.0 112.169 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -139.58 152.91 47.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.526 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -58.57 154.74 32.97 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.584 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -68.6 93.82 0.43 Allowed 'Trans proline' 0 C--N 1.304 -1.79 0 C-N-CA 122.769 2.312 . . . . 0.0 112.086 179.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 56.72 13.19 7.62 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 53.87 20.51 2.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.847 0.356 . . . . 0.0 110.58 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.709 ' O ' HG12 ' A' ' 44' ' ' VAL . 42.3 t 50.03 27.37 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.539 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.2 m 40.57 41.34 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.546 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 13.7 t80 . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.955 -1.021 . . . . 0.0 110.56 179.898 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 p -51.67 -45.09 63.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.506 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -57.49 -46.97 83.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.7 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -56.84 -40.66 76.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.518 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.3 mt -63.77 -32.33 73.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.678 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -65.54 -48.14 73.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.605 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.462 HD12 ' N ' ' A' ' 7' ' ' LEU . 10.7 mp -66.87 -41.11 87.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.625 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.47 ' O ' HG23 ' A' ' 12' ' ' VAL . 2.8 mm -55.22 -51.6 53.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.74 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 63.9 m -63.52 -41.47 98.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.445 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.69 -40.78 84.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.712 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.7 m -63.66 -46.54 85.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.589 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 8' ' ' ILE . 56.4 t -56.76 -43.6 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.398 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.73 -37.23 94.09 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.834 ' CE2' HD11 ' A' ' 18' ' ' ILE . 62.3 t80 -64.75 -48.45 74.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.718 0.294 . . . . 0.0 110.515 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.56 -44.57 90.74 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 90.7 mt -63.17 -40.67 89.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.764 0.316 . . . . 0.0 110.436 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 tp -58.86 -41.44 87.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.517 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.834 HD11 ' CE2' ' A' ' 14' ' ' PHE . 90.5 mt -62.11 -54.25 36.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.649 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.608 ' O ' HG23 ' A' ' 23' ' ' VAL . 2.3 m-85 -54.57 -47.79 72.84 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.506 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.32 -45.89 69.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.463 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.49 -44.94 96.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.573 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.3 mm -62.65 -36.55 75.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.838 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 19' ' ' PHE . 57.5 t -69.82 -51.58 39.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.356 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.436 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 85.2 m -61.29 -31.07 70.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.205 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' A' ' 25' ' ' TYR . 26.7 t80 -72.1 -46.68 55.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.574 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 85.4 m -55.24 -35.39 64.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.509 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 57.0 mt -71.62 -50.34 40.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.531 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.436 ' OD1' ' O ' ' A' ' 24' ' ' THR . 29.4 m120 -57.65 -30.93 65.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.45 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.7 -48.04 64.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.576 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -53.22 -43.24 67.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.65 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.432 ' HA ' HD12 ' A' ' 34' ' ' LEU . . . -62.15 -49.41 75.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.723 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.559 ' HA ' ' HB2' ' A' ' 37' ' ' ALA . 5.9 m-20 -54.68 -31.55 57.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.592 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 53.2 t -85.2 -44.6 17.3 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.024 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 31' ' ' ALA . 12.0 mt -46.62 -34.43 5.01 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.754 -179.525 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.581 ' O ' ' C ' ' A' ' 36' ' ' ILE . 95.3 m-85 -135.51 74.35 1.51 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.348 178.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.581 ' C ' ' O ' ' A' ' 35' ' ' PHE . 23.0 mm -0.97 72.34 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 O-C-N 124.49 1.119 . . . . 0.0 111.358 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.571 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -46.46 161.3 0.28 Allowed Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.217 -178.429 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.571 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 41.2 Cg_endo -69.94 152.24 68.31 Favored 'Trans proline' 0 C--N 1.307 -1.608 0 C-N-CA 122.726 2.284 . . . . 0.0 112.097 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -97.4 140.15 32.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.581 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -86.57 151.56 53.23 Favored Pre-proline 0 N--CA 1.451 -0.389 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.634 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -68.24 99.91 0.62 Allowed 'Trans proline' 0 C--N 1.309 -1.523 0 C-N-CA 122.721 2.281 . . . . 0.0 112.073 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 95.55 12.32 53.96 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' A' ' 45' ' ' SER . . . -41.2 104.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.812 0.339 . . . . 0.0 110.672 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 45' ' ' SER . 95.8 t 51.52 -87.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.539 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 43' ' ' ALA . 0.9 OUTLIER 65.95 177.94 0.21 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.659 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.509 179.947 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.45 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -46.89 -37.36 8.74 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.327 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.57 -39.89 50.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.543 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -70.51 -46.62 63.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.745 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.544 ' N ' HD22 ' A' ' 5' ' ' LEU . 3.8 mm? -58.35 -33.42 69.53 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.701 -179.597 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.18 -47.76 64.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.713 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.5 mt -59.87 -40.01 87.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.553 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.6 mm -64.04 -45.4 96.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.644 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.0 m -61.94 -42.38 99.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.456 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.1 tp -62.18 -42.59 99.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.505 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.2 m -58.64 -47.07 85.65 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.611 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.88 -39.73 86.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.659 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.74 -44.21 97.16 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.776 ' CE2' HD11 ' A' ' 18' ' ' ILE . 59.6 t80 -57.31 -51.5 69.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.909 0.385 . . . . 0.0 110.526 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.41 -38.83 88.99 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 69.4 mt -66.59 -50.6 65.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.673 0.273 . . . . 0.0 110.759 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 tp -53.84 -35.95 62.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.463 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.776 HD11 ' CE2' ' A' ' 14' ' ' PHE . 73.7 mt -64.0 -54.73 27.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.358 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.718 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -54.39 -46.1 73.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.485 179.505 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.33 -45.1 72.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.632 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 42.8 tp -58.71 -53.57 56.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.296 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.6 mt -55.96 -34.03 36.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.347 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 19' ' ' PHE . 75.1 t -69.91 -49.11 59.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.517 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.7 m -63.44 -30.67 71.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.472 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -70.55 -44.61 67.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.356 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 71.4 m -59.69 -39.88 86.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.45 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.9 mt -65.95 -46.58 87.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.521 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.424 ' O ' ' OD1' ' A' ' 32' ' ' ASP . 15.5 m120 -50.78 -40.95 56.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.602 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.659 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -64.51 -50.78 66.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.496 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -54.16 -31.82 53.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.557 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.19 -47.39 11.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.498 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' A' ' 28' ' ' ASN . 14.0 m-20 -51.99 -27.58 13.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.576 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 29' ' ' ALA . 91.6 t -63.51 -10.87 7.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.717 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.542 HD12 ' N ' ' A' ' 34' ' ' LEU . 10.6 mp -105.98 6.9 31.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.757 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.462 ' O ' ' C ' ' A' ' 36' ' ' ILE . 66.0 m-85 -134.32 78.81 1.77 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.734 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.462 ' C ' ' O ' ' A' ' 35' ' ' PHE . 13.1 mm 32.91 61.13 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.649 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.603 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -40.54 161.89 0.1 Allowed Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.418 -179.617 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.603 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 34.7 Cg_endo -67.96 160.51 48.23 Favored 'Trans proline' 0 C--N 1.3 -2.0 0 C-N-CA 122.905 2.404 . . . . 0.0 112.129 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -137.92 156.66 47.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.52 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.05 162.48 19.71 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.64 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -41.33 122.7 1.8 Allowed 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 123.013 2.476 . . . . 0.0 112.096 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.503 ' O ' ' N ' ' A' ' 44' ' ' VAL . . . 108.07 -39.22 2.97 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 47.89 -89.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.589 0.233 . . . . 0.0 110.378 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.503 ' N ' ' O ' ' A' ' 42' ' ' GLY . 41.4 t -120.1 128.89 75.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.646 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.96 -45.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.463 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.62 -179.799 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -57.84 -39.32 77.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.58 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -62.36 -45.07 94.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.603 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -56.68 -44.23 81.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.54 -179.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.2 mt -66.31 -46.04 78.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.621 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -56.29 -39.26 72.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.55 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.5 mt -67.87 -41.64 82.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.569 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.763 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.7 mm -58.36 -47.5 87.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.56 179.268 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 65.8 m -54.53 -49.32 70.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.574 179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.6 mt -60.81 -43.56 98.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.623 -179.023 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.5 m -62.19 -42.53 99.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.642 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 8' ' ' ILE . 52.1 t -60.06 -48.88 86.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.539 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.09 -46.86 93.13 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.709 ' CE2' HD11 ' A' ' 18' ' ' ILE . 78.6 t80 -57.91 -45.75 86.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.787 0.327 . . . . 0.0 110.61 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.8 -37.82 94.26 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.844 -0.903 . . . . 0.0 110.844 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 76.6 mt -71.29 -41.04 74.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.748 0.308 . . . . 0.0 110.583 -178.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 mp -56.53 -40.33 74.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.601 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.709 HD11 ' CE2' ' A' ' 14' ' ' PHE . 76.3 mt -63.55 -54.73 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.554 -179.435 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.523 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.5 OUTLIER -55.48 -47.0 76.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.558 179.702 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.2 m -59.74 -38.33 81.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.505 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.4 tt -62.05 -53.96 48.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.635 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 81.6 mt -52.46 -32.15 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.575 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 19' ' ' PHE . 99.2 t -72.17 -51.71 28.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.589 -179.519 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.9 m -62.29 -32.13 72.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.548 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -66.1 -42.76 88.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.577 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 90.8 m -62.22 -41.87 98.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.645 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 51.9 mt -65.05 -42.27 94.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.556 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -64.46 -48.63 74.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.618 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.28 -41.5 84.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.554 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt -57.89 -48.82 78.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.56 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.512 ' HA ' HD12 ' A' ' 34' ' ' LEU . . . -62.96 -39.52 94.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.611 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -57.35 -43.6 83.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.595 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 73.5 t -75.38 -43.72 42.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.616 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.512 HD12 ' HA ' ' A' ' 31' ' ' ALA . 17.6 mt -46.84 -35.64 6.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.538 -179.244 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.679 ' O ' ' C ' ' A' ' 36' ' ' ILE . 61.2 m-85 -125.68 73.54 1.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.471 179.477 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.679 ' C ' ' O ' ' A' ' 35' ' ' PHE . 17.1 mm -0.7 72.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.551 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.641 ' N ' ' O ' ' A' ' 35' ' ' PHE . . . -39.09 163.0 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.493 178.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.61 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 74.2 Cg_exo -39.73 136.38 1.25 Allowed 'Trans proline' 0 C--N 1.306 -1.671 0 C-N-CA 122.793 2.328 . . . . 0.0 112.165 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -101.62 130.28 47.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.565 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.627 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -123.99 158.95 58.62 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.514 179.86 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.429 ' O ' ' N ' ' A' ' 43' ' ' ALA . 74.2 Cg_exo -39.99 94.94 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.812 2.342 . . . . 0.0 112.159 -179.315 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.802 ' O ' HG23 ' A' ' 44' ' ' VAL . . . 43.83 21.85 0.24 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 41' ' ' PRO . . . 45.53 20.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.811 0.339 . . . . 0.0 110.516 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 42' ' ' GLY . 84.4 t -119.32 -36.84 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.535 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.96 -178.67 4.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.548 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.221 -0.414 0 CA-C-O 117.93 -1.034 . . . . 0.0 110.524 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.43 -37.66 87.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.508 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -42.36 99.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.578 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -63.2 -43.31 98.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.588 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.416 ' HA ' HD12 ' A' ' 8' ' ' ILE . 7.2 mt -62.4 -42.33 99.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.596 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -62.8 -47.8 81.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.6 -179.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.3 mt -58.17 -42.35 85.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.527 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 5' ' ' LEU . 44.9 mt -57.18 -50.58 76.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.593 179.49 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.9 m -51.81 -46.55 64.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.47 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 mp -66.95 -42.09 85.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.584 -179.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.8 m -53.86 -46.68 71.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.555 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.6 t -65.95 -44.86 92.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.543 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.35 -43.34 57.61 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.785 ' CE2' HD11 ' A' ' 18' ' ' ILE . 62.1 t80 -64.07 -49.29 72.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.816 0.341 . . . . 0.0 110.558 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.13 -40.56 93.81 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.7 mm -66.57 -43.31 90.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.751 0.31 . . . . 0.0 110.519 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.86 -39.1 80.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.519 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.785 HD11 ' CE2' ' A' ' 14' ' ' PHE . 86.8 mt -62.18 -53.76 43.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.568 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.672 ' O ' HG23 ' A' ' 23' ' ' VAL . 2.1 m-85 -58.48 -43.15 88.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.57 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.05 -45.99 82.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.593 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 57.6 tp -63.74 -50.91 67.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.629 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 68.9 mt -52.91 -33.0 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.543 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 19' ' ' PHE . 98.0 t -71.99 -52.79 22.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.609 -179.672 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 42.1 m -61.9 -31.67 71.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.544 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -64.7 -50.72 65.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.551 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 75.0 m -58.58 -38.5 78.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.586 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.2 mm -61.6 -49.34 84.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.568 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -61.13 -39.42 89.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.526 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.12 -48.68 80.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.577 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -53.47 -47.85 69.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.603 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.4 -42.26 92.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.618 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.485 ' HA ' ' HB2' ' A' ' 37' ' ' ALA . 41.9 m-20 -57.61 -33.73 68.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.633 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 79.0 t -83.15 -46.91 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.585 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.0 mt -46.31 -33.14 3.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.478 -179.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.703 ' O ' ' C ' ' A' ' 36' ' ' ILE . 80.2 m-85 -135.57 71.52 1.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.557 179.445 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.703 ' C ' ' O ' ' A' ' 35' ' ' PHE . 17.8 mm -1.39 73.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.483 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.633 ' N ' ' O ' ' A' ' 35' ' ' PHE . . . -40.94 159.05 0.17 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.611 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.531 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 29.3 Cg_endo -64.22 163.13 27.23 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.832 2.355 . . . . 0.0 112.019 -179.458 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 72.5 mtm180 -83.26 157.07 22.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.637 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.671 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -103.37 158.06 32.57 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.971 0.415 . . . . 0.0 110.523 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -69.68 23.44 0.17 Allowed 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.801 2.334 . . . . 0.0 112.125 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.491 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . 88.33 48.87 3.88 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.12 0.86 1.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 110.523 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.413 ' H ' ' C ' ' A' ' 42' ' ' GLY . 19.8 t -62.24 -21.09 25.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.542 179.459 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 71.4 p -67.8 -17.2 64.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.62 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 117.942 -1.028 . . . . 0.0 110.631 -179.684 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.0 p -62.28 -47.63 83.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.491 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -54.03 -37.6 64.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.562 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -62.22 -52.19 64.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.552 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.7 mt -60.95 -35.14 75.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.592 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -58.98 -42.8 90.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.525 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.2 mt -63.28 -49.09 75.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.591 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.3 mm -57.83 -40.92 78.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.538 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 54.4 m -59.2 -45.62 90.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.604 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.1 mp -64.55 -37.13 86.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.602 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.1 m -60.94 -50.44 73.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.58 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.02 -43.25 98.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.617 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.2 -43.76 96.92 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.624 ' CE2' HD11 ' A' ' 18' ' ' ILE . 77.4 t80 -64.55 -38.14 90.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.779 0.323 . . . . 0.0 110.533 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.85 -44.19 98.35 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 59.4 mt -65.75 -39.57 85.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.777 0.322 . . . . 0.0 110.599 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 tp -56.48 -38.56 71.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.589 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.624 HD11 ' CE2' ' A' ' 14' ' ' PHE . 69.6 mt -66.11 -51.78 55.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.576 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.725 ' O ' HG23 ' A' ' 23' ' ' VAL . 2.9 m-85 -58.54 -40.62 83.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.593 179.755 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.1 m -60.91 -42.59 98.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.634 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 42.8 tp -60.6 -48.55 81.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.586 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.9 mt -58.55 -34.79 52.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.576 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 19' ' ' PHE . 58.8 t -69.59 -51.28 43.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.515 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 85.3 m -61.64 -30.91 71.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.551 179.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -66.78 -49.12 66.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.487 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 95.1 m -54.31 -42.68 70.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.525 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.1 mt -65.19 -50.67 72.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.576 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -48.11 -39.07 19.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.488 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.807 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -69.62 -50.44 44.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.578 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 71.6 mttt -60.29 -18.74 51.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.556 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.31 -47.61 9.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.547 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -63.79 -17.82 63.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.617 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.807 HG23 ' O ' ' A' ' 29' ' ' ALA . 93.1 t -73.12 -11.15 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.557 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.565 HD22 ' N ' ' A' ' 34' ' ' LEU . 3.9 mm? -80.79 -1.82 44.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.613 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.473 ' C ' HD12 ' A' ' 36' ' ' ILE . 65.9 m-85 -133.43 -157.69 0.83 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.618 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.871 HD12 ' N ' ' A' ' 36' ' ' ILE . 2.5 mp -102.58 28.83 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.592 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.464 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -38.77 157.57 0.11 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.566 179.554 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.464 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 37.6 Cg_endo -67.38 174.15 7.67 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.888 2.392 . . . . 0.0 112.158 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 48.3 mtm-85 -74.33 160.38 31.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.524 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.543 ' O ' ' N ' ' A' ' 42' ' ' GLY . 0.4 OUTLIER -45.27 155.37 0.44 Allowed Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.566 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -39.24 -19.72 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.792 2.328 . . . . 0.0 112.138 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.624 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . 55.25 12.2 4.04 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 42' ' ' GLY . . . 76.56 22.03 1.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 110.598 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.3 t -104.17 117.24 49.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.551 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.2 m -72.06 -22.08 61.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.566 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.081 -0.962 . . . . 0.0 110.615 179.951 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.414 ' C ' ' N ' ' A' ' 3' ' ' LYS . . . . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m 45.33 21.22 0.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.389 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.414 ' N ' ' C ' ' A' ' 1' ' ' ALA . 9.0 tttp -61.47 -44.71 96.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.583 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -59.44 -40.62 87.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.669 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 mt -70.79 -40.42 72.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.496 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -61.91 -43.37 98.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.334 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 mt -62.85 -41.62 99.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.537 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.411 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.1 mm -62.97 -51.26 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.823 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 87.2 m -52.7 -39.57 62.12 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.364 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 tp -70.46 -52.17 24.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.787 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.0 m -49.09 -42.4 38.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.462 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 8' ' ' ILE . 58.6 t -69.01 -56.23 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.71 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -51.78 -41.21 50.56 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.548 ' CE2' HD11 ' A' ' 18' ' ' ILE . 67.3 t80 -57.98 -53.29 59.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.761 0.315 . . . . 0.0 110.744 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.12 -33.61 87.71 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.1 mm -66.98 -47.65 81.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.755 0.312 . . . . 0.0 110.678 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.9 mt -57.98 -42.41 85.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.42 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.548 HD11 ' CE2' ' A' ' 14' ' ' PHE . 24.2 mt -60.81 -53.01 54.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.661 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.573 ' O ' HG23 ' A' ' 23' ' ' VAL . 1.2 t80 -58.85 -46.89 86.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.512 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.5 t -54.06 -38.94 65.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.604 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.1 -47.39 58.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.52 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 mm -59.23 -28.73 40.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.763 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 19' ' ' PHE . 74.4 t -74.78 -52.25 19.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.968 0.413 . . . . 0.0 110.615 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 42.5 m -62.05 -31.77 72.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.965 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -67.49 -43.58 80.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.482 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 98.4 m -61.67 -43.01 99.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.563 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.0 mt -61.2 -44.5 98.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.557 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.432 ' O ' ' OD1' ' A' ' 32' ' ' ASP . 95.8 m-20 -62.55 -42.92 99.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.567 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.5 -43.38 97.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.576 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -59.48 -41.99 91.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.716 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.54 ' HA ' HD12 ' A' ' 34' ' ' LEU . . . -66.8 -45.94 76.8 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.835 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.439 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 1.1 m-20 -51.73 -41.71 61.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.663 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.7 t -73.63 -44.81 52.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.833 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.54 HD12 ' HA ' ' A' ' 31' ' ' ALA . 11.2 mt -47.43 -31.95 4.6 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.631 -179.52 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.567 ' O ' ' C ' ' A' ' 36' ' ' ILE . 54.8 m-85 -126.7 74.0 1.44 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.392 179.254 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.567 ' C ' ' O ' ' A' ' 35' ' ' PHE . 25.2 mm 4.69 67.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 O-C-N 124.53 1.144 . . . . 0.0 111.319 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.55 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -37.82 160.44 0.07 OUTLIER Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.569 -179.137 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.55 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 37.1 Cg_endo -66.16 -176.74 0.68 Allowed 'Trans proline' 0 C--N 1.306 -1.661 0 C-N-CA 122.63 2.22 . . . . 0.0 112.058 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -133.79 137.32 45.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.283 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.45 164.82 13.88 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.693 -179.705 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -42.99 119.41 1.56 Allowed 'Trans proline' 0 C--N 1.31 -1.453 0 C-N-CA 122.723 2.282 . . . . 0.0 112.195 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 52.03 41.08 52.16 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.77 118.73 3.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.8 0.333 . . . . 0.0 110.598 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 20.0 t -68.35 99.85 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.586 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -148.22 3.13 0.68 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.587 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.483 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.2 m -58.85 -50.35 74.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.706 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.459 ' CG ' ' N ' ' A' ' 4' ' ' GLU . 9.0 ptmm? -53.67 -48.86 69.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.5 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.459 ' N ' ' CG ' ' A' ' 3' ' ' LYS . 35.4 tt0 -57.63 -50.61 72.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.372 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.9 mt -56.88 -40.96 77.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.583 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -64.01 -50.08 69.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.607 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mt -53.99 -42.62 69.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.544 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.9 mm -60.04 -47.17 92.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.666 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.6 m -56.49 -41.76 77.15 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.554 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 10' ' ' LEU . 1.4 mm? -60.33 -44.96 95.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.74 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 60.1 m -60.12 -47.1 87.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 93.9 t -63.05 -44.15 99.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.654 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.73 -42.44 99.41 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.802 ' CE2' HD11 ' A' ' 18' ' ' ILE . 59.0 t80 -61.73 -46.32 90.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.793 0.33 . . . . 0.0 110.542 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.461 ' HA2' HD12 ' A' ' 18' ' ' ILE . . . -61.17 -43.52 99.3 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.3 mm -62.04 -46.22 96.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.798 0.332 . . . . 0.0 110.61 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mt -56.07 -39.06 71.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.502 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.802 HD11 ' CE2' ' A' ' 14' ' ' PHE . 67.9 mt -62.66 -53.5 46.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.278 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.507 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -61.52 -38.28 86.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.413 179.936 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.4 t -58.23 -44.85 88.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.576 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 21' ' ' LEU . 46.7 tp -64.63 -50.38 67.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.399 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 85.5 mt -52.45 -34.39 18.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.3 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 19' ' ' PHE . 67.4 t -68.99 -51.02 48.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.361 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.6 m -62.21 -28.92 70.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.266 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -66.89 -45.16 78.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.349 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 85.1 m -59.24 -40.6 86.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.596 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.6 mm -67.71 -48.4 76.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.6 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -49.51 -39.86 35.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.554 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.609 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -65.75 -51.79 56.35 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.578 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -57.08 -21.61 33.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.61 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.99 -43.88 13.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.603 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -64.01 -17.57 63.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.616 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 29' ' ' ALA . 90.0 t -73.32 -3.16 3.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.811 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.544 HD12 ' N ' ' A' ' 34' ' ' LEU . 10.5 mp -97.32 2.1 50.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.641 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -126.53 -159.14 0.9 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.554 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.867 HD12 ' N ' ' A' ' 36' ' ' ILE . 2.6 mp -100.06 28.04 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.738 -179.403 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.553 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -53.27 160.66 1.63 Allowed Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.672 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.553 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 41.3 Cg_endo -69.5 -171.76 0.48 Allowed 'Trans proline' 0 C--N 1.303 -1.862 0 C-N-CA 122.778 2.319 . . . . 0.0 112.294 179.646 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -131.45 139.46 49.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.552 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.489 ' CD ' ' N ' ' A' ' 40' ' ' GLU . 0.2 OUTLIER -115.29 162.18 25.85 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.611 -179.769 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_exo -40.84 -22.66 0.12 Allowed 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.954 2.436 . . . . 0.0 112.412 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 40' ' ' GLU . . . 111.33 18.86 7.85 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 59.19 105.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.763 0.316 . . . . 0.0 110.737 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 65.2 t -90.39 -56.68 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.506 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.7 -27.26 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.487 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.7 t80 . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.965 -1.016 . . . . 0.0 110.455 -179.976 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -64.57 -38.43 90.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.738 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -63.99 -37.93 89.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.741 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -67.36 -42.51 83.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.629 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.6 mt -62.73 -40.88 98.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.51 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -65.07 -38.47 90.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.73 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.9 mt -63.62 -43.8 95.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.726 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 82.5 mt -67.14 -38.0 80.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.586 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 85.9 m -69.42 -38.69 77.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.756 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mt -61.14 -44.6 97.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.488 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.3 m -61.34 -45.9 92.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.527 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.3 t -58.6 -49.64 81.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.521 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.22 -40.47 98.62 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -63.3 -52.03 63.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.651 0.263 . . . . 0.0 110.529 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.09 -38.29 55.75 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.9 mt -69.13 -40.96 81.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.767 0.318 . . . . 0.0 110.737 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 tp -56.38 -39.8 73.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.592 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.1 mm -66.52 -51.33 58.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.023 0.44 . . . . 0.0 110.321 -179.254 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.633 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -58.04 -46.84 84.7 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.362 179.912 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.0 m -56.52 -39.34 73.19 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.279 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.694 HD13 ' C ' ' A' ' 21' ' ' LEU . 3.1 tm? -61.43 -54.83 38.39 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.171 -0.611 . . . . 0.0 110.497 -179.2 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 54.0 mt -54.93 -29.95 22.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.768 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 19' ' ' PHE . 86.1 t -75.27 -51.32 21.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.54 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 84.1 m -61.09 -31.24 70.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.232 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -69.12 -50.53 47.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.711 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 76.0 m -54.94 -39.94 69.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.42 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 65.8 mt -64.42 -49.03 82.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.64 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -54.13 -43.73 70.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.547 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.72 -47.96 82.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.52 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.9 mttp -64.39 -41.53 96.62 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.629 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.529 ' HA ' HD12 ' A' ' 34' ' ' LEU . . . -62.81 -41.99 99.53 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.51 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.515 ' HA ' ' HB3' ' A' ' 37' ' ' ALA . 84.9 m-20 -58.54 -41.7 86.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.749 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 25.2 t -74.44 -43.57 48.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' A' ' 31' ' ' ALA . 10.6 mt -46.45 -37.08 7.27 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.439 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.59 ' O ' ' N ' ' A' ' 37' ' ' ALA . 80.7 m-85 -131.1 74.48 1.6 Allowed 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.668 178.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.542 ' C ' ' O ' ' A' ' 35' ' ' PHE . 26.3 mm 1.36 65.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 O-C-N 124.79 1.306 . . . . 0.0 111.348 179.241 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.59 ' N ' ' O ' ' A' ' 35' ' ' PHE . . . -109.94 162.43 20.39 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.833 -178.659 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.579 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 74.2 Cg_exo -39.65 137.46 1.05 Allowed 'Trans proline' 0 C--N 1.309 -1.522 0 C-N-CA 122.706 2.271 . . . . 0.0 112.02 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.1 mtt180 -104.21 160.96 14.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.543 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -80.26 151.04 72.07 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.779 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_exo -37.68 146.77 0.1 Allowed 'Trans proline' 0 C--N 1.312 -1.355 0 C-N-CA 122.699 2.266 . . . . 0.0 112.333 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.62 -49.98 2.33 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 55.55 -109.68 0.51 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.839 0.352 . . . . 0.0 110.544 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.472 ' O ' ' CB ' ' A' ' 45' ' ' SER . 39.2 t -58.64 -21.55 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.646 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 0.7 OUTLIER 79.19 31.35 0.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.502 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.542 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -42.28 153.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.581 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.4 mmtm -52.8 -47.47 67.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.587 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -59.5 -46.6 88.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.524 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.501 ' N ' HD22 ' A' ' 5' ' ' LEU . 4.1 mm? -61.29 -39.49 90.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.657 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.75 -42.87 97.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.647 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.6 mt -59.19 -47.62 84.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.549 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.744 ' O ' HG23 ' A' ' 12' ' ' VAL . 11.5 mt -59.68 -38.43 75.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.567 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.9 m -63.39 -46.46 86.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.634 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 tt -60.72 -35.38 76.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.689 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.1 m -67.69 -41.66 83.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.516 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 8' ' ' ILE . 26.4 t -64.26 -37.18 79.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.547 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.58 -46.06 64.02 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.747 ' CE2' HD11 ' A' ' 18' ' ' ILE . 66.1 t80 -59.88 -43.09 94.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.815 0.341 . . . . 0.0 110.608 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.38 -40.45 99.07 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.7 mt -67.08 -43.71 88.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.691 0.281 . . . . 0.0 110.554 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 tp -56.39 -41.62 76.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.256 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.747 HD11 ' CE2' ' A' ' 14' ' ' PHE . 71.9 mt -61.13 -53.75 44.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.526 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.629 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -53.18 -49.41 66.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.531 179.781 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.8 p -59.23 -37.9 78.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.744 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 53.3 tp -66.97 -48.63 67.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.636 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.436 ' O ' ' SG ' ' A' ' 26' ' ' CYS . 56.5 mt -58.51 -26.86 32.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.511 -179.4 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 19' ' ' PHE . 91.6 t -74.09 -52.23 21.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.522 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.4 m -65.98 -31.89 73.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.48 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -65.94 -51.07 61.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.542 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.436 ' SG ' ' O ' ' A' ' 22' ' ' ILE . 76.9 m -57.67 -45.73 85.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.479 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.1 mm -58.78 -48.77 85.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.677 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -58.88 -48.16 82.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.596 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.77 -44.2 77.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.547 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.1 mmtm -60.68 -45.97 92.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.591 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.461 ' HA ' HD12 ' A' ' 34' ' ' LEU . . . -65.43 -41.16 93.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.709 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.432 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 9.0 m-20 -53.69 -48.81 69.17 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.705 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.2 t -68.26 -44.99 83.53 Favored 'Isoleucine or valine' 0 C--O 1.241 0.634 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.156 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 31' ' ' ALA . 11.7 mt -46.93 -35.15 6.17 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.987 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.571 ' O ' ' C ' ' A' ' 36' ' ' ILE . 65.9 m-85 -121.49 73.45 1.06 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.456 178.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.571 ' C ' ' O ' ' A' ' 35' ' ' PHE . 19.6 mm 6.58 66.45 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 O-C-N 124.583 1.177 . . . . 0.0 110.97 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.55 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -43.29 161.14 0.2 Allowed Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.323 -178.561 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.55 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 72.7 Cg_exo -39.12 136.56 0.81 Allowed 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.824 2.349 . . . . 0.0 112.196 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 77.8 mtm-85 -88.57 133.64 34.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.417 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.467 ' O ' ' O ' ' A' ' 41' ' ' PRO . 36.3 mm-40 -109.78 108.61 59.48 Favored Pre-proline 0 CA--C 1.538 0.481 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.363 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.467 ' O ' ' O ' ' A' ' 40' ' ' GLU . 52.0 Cg_exo -49.85 -165.93 0.0 OUTLIER 'Trans proline' 0 C--N 1.314 -1.243 0 C-N-CA 122.771 2.314 . . . . 0.0 112.277 179.167 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.474 ' O ' ' HB2' ' A' ' 43' ' ' ALA . . . 75.51 -57.8 2.92 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.474 ' HB2' ' O ' ' A' ' 42' ' ' GLY . . . 174.75 17.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.989 0.423 . . . . 0.0 110.567 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 98.3 t 53.31 88.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.605 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.8 m 46.13 -172.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.514 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.426 ' CD1' ' N ' ' A' ' 46' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.401 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.509 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.5 p -46.95 -36.59 7.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.511 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.404 ' HG2' ' H ' ' A' ' 3' ' ' LYS . 4.8 ptmm? -58.09 -38.43 76.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.675 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -68.6 -46.21 69.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.463 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.533 ' N ' HD22 ' A' ' 5' ' ' LEU . 4.1 mm? -63.13 -29.91 71.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.691 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -68.92 -41.08 78.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.382 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.4 mt -61.71 -41.0 97.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.461 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.696 ' O ' HG23 ' A' ' 12' ' ' VAL . 49.9 mm -64.44 -41.82 93.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.564 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 34.5 m -64.3 -44.9 90.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.571 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 mt -55.0 -40.63 70.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.548 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.8 m -68.85 -45.47 71.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.567 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 8' ' ' ILE . 60.9 t -54.39 -41.67 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.548 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.97 -46.22 82.84 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.76 ' CE2' HD11 ' A' ' 18' ' ' ILE . 79.4 t80 -58.85 -43.32 90.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.9 0.381 . . . . 0.0 110.537 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.02 -45.87 93.29 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 74.1 mt -63.57 -39.78 86.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.918 0.389 . . . . 0.0 110.409 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.95 -40.54 80.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.621 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.76 HD11 ' CE2' ' A' ' 14' ' ' PHE . 81.8 mt -62.59 -51.81 67.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.416 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.827 ' O ' HG23 ' A' ' 23' ' ' VAL . 39.3 t80 -55.78 -44.75 78.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.573 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.17 -43.29 99.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.592 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.7 tp -56.25 -52.77 63.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.297 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 73.0 mt -56.95 -35.93 48.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.83 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' ' 19' ' ' PHE . 61.1 t -64.72 -51.79 62.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.631 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.491 ' HA ' HD12 ' A' ' 27' ' ' ILE . 78.9 m -65.62 -31.05 71.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.276 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -60.76 -41.24 95.09 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.606 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.7 m -70.42 -44.58 67.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.623 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.491 HD12 ' HA ' ' A' ' 24' ' ' THR . 96.5 mt -50.68 -43.08 23.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.482 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -67.3 -45.99 74.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.487 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.31 -38.23 73.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.634 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -73.53 -46.26 48.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.71 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.66 -35.93 44.22 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.53 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -56.27 -18.77 11.53 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.503 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.598 ' C ' HD12 ' A' ' 34' ' ' LEU . 59.5 t -94.14 -3.91 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.778 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.598 HD12 ' C ' ' A' ' 33' ' ' VAL . 10.4 mp -108.88 -11.0 15.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.673 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.411 ' O ' ' C ' ' A' ' 36' ' ' ILE . 8.3 m-85 -105.06 78.58 1.41 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.124 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.845 ' N ' HD12 ' A' ' 36' ' ' ILE . 2.0 mp 36.97 44.21 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.257 0.551 . . . . 0.0 110.473 178.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.621 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -41.04 163.94 0.09 OUTLIER Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.544 -179.564 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.621 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 54.2 Cg_endo -73.03 -93.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.405 0 C-N-CA 122.813 2.342 . . . . 0.0 112.13 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -126.48 159.65 32.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.778 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.498 ' C ' ' H ' ' A' ' 42' ' ' GLY . 2.3 mp0 -51.12 155.74 2.09 Favored Pre-proline 0 N--CA 1.453 -0.32 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.644 -179.485 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -68.29 29.0 0.14 Allowed 'Trans proline' 0 C--N 1.309 -1.53 0 C-N-CA 122.711 2.274 . . . . 0.0 112.153 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . 85.41 50.51 4.01 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.34 134.84 40.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.735 0.302 . . . . 0.0 110.509 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.2 t -110.86 117.29 54.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.603 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.8 p -98.84 63.76 1.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.494 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.416 ' OXT' ' CG ' ' A' ' 46' ' ' TYR . 40.9 t80 . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.557 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 t -59.17 -9.61 2.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.579 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -54.94 -37.25 66.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.558 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -64.14 -49.01 73.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.538 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.547 HD12 ' N ' ' A' ' 5' ' ' LEU . 9.8 mp -56.57 -36.49 69.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.549 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -61.83 -49.32 76.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.533 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.2 mt -62.47 -41.0 98.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.556 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 75.6 mt -60.36 -49.7 83.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.489 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 89.8 m -59.88 -41.95 92.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.594 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.04 -46.11 78.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.55 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.1 m -59.84 -47.84 84.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.496 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 82.5 t -53.91 -48.74 62.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.513 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.14 -47.44 88.24 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.815 ' CE2' HD11 ' A' ' 18' ' ' ILE . 56.3 t80 -57.74 -43.98 85.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.781 0.324 . . . . 0.0 110.597 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.98 -41.12 97.76 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 69.2 mt -67.19 -43.65 88.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.769 0.319 . . . . 0.0 110.56 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 mp -57.0 -44.1 82.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.59 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.815 HD11 ' CE2' ' A' ' 14' ' ' PHE . 62.2 mt -57.2 -54.38 31.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.597 179.497 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.653 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -58.45 -39.59 80.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.494 -179.71 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.3 m -63.84 -38.24 90.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.573 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.51 -47.81 84.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.532 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 36.3 mt -63.04 -30.13 48.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.594 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 19' ' ' PHE . 92.7 t -70.75 -51.84 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.463 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.8 m -63.85 -30.69 71.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.538 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -66.02 -44.89 83.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.557 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 93.7 m -58.91 -45.61 89.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.6 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.2 mt -60.74 -47.69 92.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.541 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -56.55 -41.34 76.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.587 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.21 -45.43 94.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.565 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.0 mttt -57.39 -44.85 84.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.51 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.605 ' HA ' HD12 ' A' ' 34' ' ' LEU . . . -60.26 -48.75 80.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.574 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -51.98 -42.13 62.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.557 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.6 t -76.01 -43.61 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.585 -178.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.605 HD12 ' HA ' ' A' ' 31' ' ' ALA . 11.7 mt -44.76 -34.59 2.33 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.606 -178.741 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.703 ' O ' ' C ' ' A' ' 36' ' ' ILE . 86.9 m-85 -131.59 73.24 1.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.572 179.143 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.703 ' C ' ' O ' ' A' ' 35' ' ' PHE . 33.2 mm 3.24 67.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.505 179.2 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.667 ' N ' ' O ' ' A' ' 35' ' ' PHE . . . -110.44 156.37 40.48 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.516 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.44 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 22.5 Cg_endo -62.87 -169.49 0.09 OUTLIER 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.806 2.337 . . . . 0.0 112.139 -179.74 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.6 ptp85 -134.88 161.59 34.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.571 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -44.2 155.79 0.34 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.537 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 42' ' ' GLY . 70.5 Cg_exo -41.37 94.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.85 2.367 . . . . 0.0 112.063 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 41' ' ' PRO . . . 38.61 45.97 2.05 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.09 -47.53 68.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.72 0.295 . . . . 0.0 110.576 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.1 t -64.38 -27.52 42.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.563 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.69 -51.0 15.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.605 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.553 -179.951 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.7 mttp . . . . . 0 CA--C 1.526 0.045 0 CA-C-O 120.861 0.362 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -57.52 -40.62 79.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.577 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.2 mt -65.44 -44.21 88.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.59 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -60.19 -41.99 94.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.447 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.2 mt -62.38 -44.8 95.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.584 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 54.5 mt -61.18 -44.23 97.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.565 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.4 m -60.2 -43.06 96.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.507 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.597 HD23 ' O ' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -65.2 -36.5 84.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.547 179.881 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 63.4 m -59.69 -42.78 93.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.511 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 82.1 t -66.31 -42.88 91.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.573 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.11 -46.42 91.55 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.864 ' CE2' HD11 ' A' ' 18' ' ' ILE . 35.8 t80 -63.32 -38.96 93.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.736 0.303 . . . . 0.0 110.666 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.15 -40.26 97.89 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.4 mt -62.64 -42.9 97.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.709 0.29 . . . . 0.0 110.357 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mt -60.33 -42.86 96.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.484 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.864 HD11 ' CE2' ' A' ' 14' ' ' PHE . 89.3 mt -56.95 -53.74 38.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.485 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.447 ' O ' HG23 ' A' ' 23' ' ' VAL . 5.8 t80 -57.3 -49.3 76.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.553 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.91 -43.45 69.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.52 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.65 -49.46 75.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.532 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 43.6 mt -59.8 -27.0 37.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.722 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 19' ' ' PHE . 53.8 t -74.61 -50.16 27.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.592 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 91.2 m -67.76 -32.54 73.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.401 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.491 ' CD1' ' C ' ' A' ' 25' ' ' TYR . 11.6 t80 -65.23 -46.46 80.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.412 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 97.3 m -61.13 -39.45 90.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.398 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.8 mt -68.51 -42.26 83.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.418 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -56.45 -41.4 76.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.374 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.27 -43.15 78.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.568 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -53.82 -45.93 70.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.67 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.31 -43.72 97.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.705 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.72 -179.805 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.744 0.306 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -60.86 -40.03 91.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.439 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.502 ' N ' HD12 ' A' ' 5' ' ' LEU . 10.7 mp -62.83 -42.74 99.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.525 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -63.28 -44.57 94.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.636 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.7 mt -60.31 -47.77 84.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.561 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.562 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.7 mm -60.2 -46.07 95.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.693 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.1 m -57.24 -47.07 82.3 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.518 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mp -57.28 -41.92 80.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.582 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 51.7 m -65.34 -42.49 92.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.445 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 8' ' ' ILE . 84.8 t -57.7 -48.27 83.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.495 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.97 -39.09 95.14 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.777 ' CE2' HD11 ' A' ' 18' ' ' ILE . 71.8 t80 -65.31 -39.73 92.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.906 0.384 . . . . 0.0 110.546 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.65 -43.17 96.78 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 63.7 mt -67.32 -34.29 68.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.747 0.308 . . . . 0.0 110.366 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 tp -64.05 -39.49 94.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.391 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.777 HD11 ' CE2' ' A' ' 14' ' ' PHE . 62.7 mt -63.5 -51.27 72.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.497 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.745 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -57.39 -49.17 77.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.665 179.861 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.2 m -58.74 -39.8 81.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.508 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 49.9 tp -61.22 -50.99 70.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.409 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.5 mt -61.76 -28.04 43.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.602 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 19' ' ' PHE . 89.5 t -74.43 -51.14 23.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.426 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.3 m -61.58 -30.85 70.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.188 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -66.95 -51.89 49.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.679 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 68.3 m -55.66 -35.66 66.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.405 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.3 mm -69.38 -49.5 59.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.64 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -55.06 -38.71 68.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.401 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.43 -46.66 79.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.574 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -61.74 -27.34 68.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.713 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.42 -40.77 16.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.75 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.417 179.925 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.813 0.339 . . . . 0.0 110.598 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -66.18 -52.41 48.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.561 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.6 mt -58.21 -35.33 71.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.524 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.5 -48.04 81.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.546 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.0 mt -60.46 -46.03 91.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.687 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.487 ' O ' HG23 ' A' ' 12' ' ' VAL . 96.4 mt -60.31 -39.25 80.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.41 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.7 m -61.64 -47.12 86.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.524 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.9 -50.72 72.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.68 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 42.2 m -54.66 -44.42 73.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.476 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 8' ' ' ILE . 57.0 t -62.21 -45.36 98.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.471 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.08 -34.87 90.4 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.722 ' CE2' HD11 ' A' ' 18' ' ' ILE . 50.3 t80 -68.99 -43.02 75.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.75 0.31 . . . . 0.0 110.493 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.58 -35.48 91.87 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 80.4 mt -71.91 -39.88 67.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.727 0.299 . . . . 0.0 110.407 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.11 -35.77 74.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.395 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.722 HD11 ' CE2' ' A' ' 14' ' ' PHE . 76.0 mt -68.75 -51.72 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.441 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.631 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -55.73 -42.0 74.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.534 179.861 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.4 t -63.2 -39.74 95.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.506 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.25 -53.16 60.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.513 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.4 mt -58.48 -31.42 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.762 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 19' ' ' PHE . 54.2 t -68.37 -49.89 62.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.472 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.0 m -66.87 -31.34 71.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.266 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -66.36 -45.71 79.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.706 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 93.7 m -60.37 -44.75 95.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.589 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 83.6 mt -58.4 -41.9 82.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.474 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -65.15 -46.55 80.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.6 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.64 -41.19 69.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.442 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -63.83 -46.69 83.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.637 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.47 -39.59 91.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.611 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.634 -179.926 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.797 0.332 . . . . 0.0 110.48 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.92 -45.58 94.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.479 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.509 HD22 ' N ' ' A' ' 5' ' ' LEU . 4.3 mm? -62.63 -39.21 93.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.486 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.3 -46.2 90.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.518 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.7 mt -57.42 -42.28 82.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.577 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 90.8 mt -65.29 -43.54 95.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.649 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 82.0 m -58.31 -48.34 80.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.396 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.64 -37.55 86.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.471 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 61.3 m -52.59 -49.57 64.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.54 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.6 t -64.0 -42.85 97.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.644 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.52 -40.28 97.55 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.785 ' CE2' HD11 ' A' ' 18' ' ' ILE . 81.9 t80 -65.65 -40.2 92.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.321 . . . . 0.0 110.523 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.67 -39.02 97.1 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 97.5 mt -68.12 -41.72 84.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.738 0.304 . . . . 0.0 110.412 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 tt -56.89 -42.25 79.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.508 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.785 HD11 ' CE2' ' A' ' 14' ' ' PHE . 39.0 mt -62.12 -53.59 45.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.43 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.646 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -55.26 -45.1 76.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.507 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.8 t -54.97 -48.34 73.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.714 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.1 tt -64.89 -49.19 71.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.4 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 mm -53.84 -30.73 19.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.726 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 19' ' ' PHE . 78.9 t -72.48 -52.37 23.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.395 -179.65 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 88.1 m -62.47 -30.96 71.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.159 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -69.45 -49.84 51.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.598 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 59.7 m -57.99 -35.99 72.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.526 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 65.0 mt -70.63 -48.65 57.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.546 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -49.67 -40.87 41.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.45 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.41 -48.25 67.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.432 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.8 mmtt -53.17 -33.27 51.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.652 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.28 -49.89 11.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.741 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.484 179.875 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.8 tttm . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.804 0.335 . . . . 0.0 110.557 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -58.89 -44.1 91.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.319 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.5 mt -65.6 -45.49 82.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.551 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -57.77 -50.88 71.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.656 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.8 mt -54.64 -45.91 73.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.529 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.6 mm -60.51 -52.99 55.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.632 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.8 m -54.41 -37.23 64.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.452 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 mt -69.02 -50.1 51.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.596 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.6 m -51.12 -42.38 60.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.486 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.0 t -67.2 -41.92 87.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.608 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.14 -35.8 92.57 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.567 ' CE2' HD11 ' A' ' 18' ' ' ILE . 62.1 t80 -65.28 -48.35 73.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.805 0.336 . . . . 0.0 110.486 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.2 -33.79 88.21 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.0 mm -72.22 -38.85 63.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.748 0.309 . . . . 0.0 110.417 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.48 -41.8 94.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.282 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.567 HD11 ' CE2' ' A' ' 14' ' ' PHE . 16.8 mt -63.62 -50.61 77.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.227 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.459 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.5 OUTLIER -60.25 -47.57 85.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.399 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.0 m -53.48 -38.08 63.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.659 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.1 -54.21 23.54 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.596 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.0 mt -52.95 -29.43 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.491 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 19' ' ' PHE . 75.2 t -74.43 -51.78 21.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.652 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 49.6 m -61.28 -31.47 71.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.331 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.447 ' CD1' ' C ' ' A' ' 25' ' ' TYR . 20.4 t80 -67.76 -48.52 66.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.561 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.5 m -56.37 -39.3 72.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.472 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 80.5 mt -69.26 -48.64 67.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.561 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.411 HD22 ' N ' ' A' ' 28' ' ' ASN . 0.9 OUTLIER -49.28 -38.36 26.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.664 179.875 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.64 -53.03 12.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.622 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -53.61 -24.63 14.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.448 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.69 -41.51 13.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.401 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.536 -179.946 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.6 tttp . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.839 0.352 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.28 -42.52 86.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.467 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.5 mt -63.51 -47.94 79.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.539 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -56.72 -35.71 68.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.605 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.7 mt -69.39 -47.56 63.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.665 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.7 mt -61.64 -39.91 84.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.54 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 91.1 m -61.81 -48.23 81.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.575 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 mp -56.43 -44.58 80.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.616 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.7 m -56.47 -50.99 70.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.602 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.8 t -56.85 -44.44 82.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.58 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.58 -44.11 97.08 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.644 ' CE2' HD11 ' A' ' 18' ' ' ILE . 53.6 t80 -65.93 -40.37 91.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.751 0.31 . . . . 0.0 110.523 -179.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.66 -42.74 99.43 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 57.2 mt -68.81 -40.66 81.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.712 0.292 . . . . 0.0 110.43 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.7 -39.44 73.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.648 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.644 HD11 ' CE2' ' A' ' 14' ' ' PHE . 40.6 mt -64.9 -52.53 52.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.494 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.552 ' O ' HG23 ' A' ' 23' ' ' VAL . 2.4 m-85 -59.92 -38.38 82.18 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.587 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 t -62.08 -43.07 99.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.612 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.1 tp -63.09 -48.52 78.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.558 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.0 mt -59.29 -31.1 45.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.576 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 19' ' ' PHE . 60.3 t -74.26 -51.19 24.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.519 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.8 m -61.9 -31.71 72.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.191 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -66.07 -46.85 76.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.45 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 98.9 m -57.09 -43.44 82.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.614 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 97.3 mt -61.19 -50.27 81.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.541 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.6 m-20 -59.34 -44.83 92.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.53 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.31 -50.21 67.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.567 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.9 mmtm -63.04 -42.3 99.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.622 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.58 -39.26 91.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.61 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.49 179.808 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 72.7 mttt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.848 0.356 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -61.62 -53.48 55.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.586 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.503 ' N ' HD12 ' A' ' 5' ' ' LEU . 10.8 mp -57.07 -38.31 73.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.561 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -67.92 -44.68 76.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.659 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.1 mt -55.71 -43.84 76.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.545 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.8 mt -63.19 -45.81 97.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.525 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 96.0 m -59.47 -40.07 85.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.506 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.3 -42.12 88.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.54 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 51.8 m -58.93 -38.55 79.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.53 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 96.4 t -66.06 -45.7 89.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.507 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.61 -38.44 93.72 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.789 ' CE2' HD11 ' A' ' 18' ' ' ILE . 88.8 t80 -66.42 -44.77 81.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.785 0.326 . . . . 0.0 110.636 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.04 -38.46 93.01 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 73.3 mt -67.72 -43.51 86.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.71 0.29 . . . . 0.0 110.488 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.16 -40.13 70.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.526 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.789 HD11 ' CE2' ' A' ' 14' ' ' PHE . 91.2 mt -62.45 -53.53 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.506 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.409 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -57.57 -45.16 85.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.611 179.868 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.24 -37.08 79.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.653 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.62 -53.11 59.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.495 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 83.4 mt -58.24 -31.58 42.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.722 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 19' ' ' PHE . 53.8 t -71.93 -49.5 44.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.632 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.409 HG22 ' ND2' ' A' ' 28' ' ' ASN . 54.2 m -64.96 -30.71 71.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.247 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.415 ' CD1' ' C ' ' A' ' 25' ' ' TYR . 30.1 t80 -65.85 -49.12 69.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.565 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 65.5 m -59.24 -45.77 90.28 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.622 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.6 mt -58.02 -41.39 80.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.589 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.409 ' ND2' HG22 ' A' ' 24' ' ' THR . 92.3 m-20 -69.35 -41.17 76.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.604 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.92 -38.69 67.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.517 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -73.71 -44.48 56.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.778 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.59 -27.67 58.57 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.471 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.54 179.93 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.1 tttp . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.807 0.337 . . . . 0.0 110.745 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -59.4 -54.0 51.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.782 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 mt -62.45 -34.47 76.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.511 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -57.68 -52.39 65.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.498 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.6 mt -59.81 -40.97 90.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.537 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.463 ' O ' HG23 ' A' ' 12' ' ' VAL . 4.1 mm -57.74 -49.5 80.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.641 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.7 m -63.36 -41.84 98.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.51 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 mt -58.89 -50.62 73.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.546 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 56.5 m -58.24 -43.96 88.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.76 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 8' ' ' ILE . 72.2 t -58.78 -47.72 88.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.532 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.72 -38.42 95.12 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.665 ' CE2' HD11 ' A' ' 18' ' ' ILE . 60.7 t80 -59.61 -52.24 66.4 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.016 -0.274 . . . . 0.0 110.331 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.76 -42.8 96.61 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.2 mt -63.21 -46.07 96.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.914 0.388 . . . . 0.0 110.68 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mp -55.62 -39.3 70.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.579 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.665 HD11 ' CE2' ' A' ' 14' ' ' PHE . 56.7 mt -66.57 -53.43 35.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.643 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.587 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -57.35 -42.07 81.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.634 -179.875 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.28 -38.89 84.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.427 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 tt -67.35 -52.0 45.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.5 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 83.0 mt -53.89 -29.45 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.62 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 19' ' ' PHE . 69.6 t -74.11 -49.86 31.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.333 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 92.8 m -61.76 -32.57 72.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.249 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -65.45 -48.4 72.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.7 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 85.7 m -56.37 -48.21 77.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.265 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.8 mm -57.18 -50.08 77.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.243 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -51.91 -45.27 64.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.636 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.67 -45.48 89.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.475 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.69 -31.45 70.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.466 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.84 -37.12 27.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.576 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.718 -179.897 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.714 0.293 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -57.69 -41.35 81.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.485 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 mt -71.58 -37.26 71.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.5 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -61.91 -43.63 98.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.524 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.7 mt -67.61 -43.83 79.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.582 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.4 mm -55.89 -52.99 43.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.554 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 95.6 m -55.18 -43.47 74.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.581 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 mp -61.85 -43.93 97.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.604 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.0 m -57.22 -45.01 84.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.565 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.506 HG12 HD11 ' A' ' 16' ' ' ILE . 39.5 t -66.81 -45.87 86.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.52 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.13 -33.34 74.34 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.64 ' CE2' HD11 ' A' ' 18' ' ' ILE . 65.5 t80 -71.89 -46.37 58.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.782 0.325 . . . . 0.0 110.502 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.49 -36.68 92.93 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.506 HD11 HG12 ' A' ' 12' ' ' VAL . 56.3 mt -71.16 -36.01 60.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.788 0.328 . . . . 0.0 110.545 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 tp -60.33 -43.84 96.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.538 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.64 HD11 ' CE2' ' A' ' 14' ' ' PHE . 45.4 mt -63.23 -49.42 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.474 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.613 ' O ' HG23 ' A' ' 23' ' ' VAL . 8.4 t80 -58.97 -45.2 91.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.49 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 p -58.31 -43.58 88.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.508 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.0 tt -59.54 -50.34 74.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.534 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.2 mm -58.11 -30.58 39.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.557 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 19' ' ' PHE . 95.1 t -74.07 -52.91 18.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.531 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 49.9 m -59.68 -32.14 70.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.565 179.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -66.07 -48.64 70.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.545 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 91.3 m -58.51 -36.22 73.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.562 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.6 mm -64.56 -43.58 96.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.551 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.427 HD22 ' N ' ' A' ' 28' ' ' ASN . 1.0 OUTLIER -61.92 -41.66 98.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.506 -179.868 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.51 -45.53 83.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.559 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -61.17 -26.84 67.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.567 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.69 -36.28 16.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.609 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.624 179.863 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.8 mttt . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.787 0.327 . . . . 0.0 110.7 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -56.84 -40.66 76.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.518 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.3 mt -63.77 -32.33 73.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.678 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -65.54 -48.14 73.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.605 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.462 ' N ' HD12 ' A' ' 7' ' ' LEU . 10.7 mp -66.87 -41.11 87.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.625 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.47 ' O ' HG23 ' A' ' 12' ' ' VAL . 2.8 mm -55.22 -51.6 53.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.74 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 63.9 m -63.52 -41.47 98.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.445 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.69 -40.78 84.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.712 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.7 m -63.66 -46.54 85.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.589 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 8' ' ' ILE . 56.4 t -56.76 -43.6 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.398 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.73 -37.23 94.09 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.834 ' CE2' HD11 ' A' ' 18' ' ' ILE . 62.3 t80 -64.75 -48.45 74.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.718 0.294 . . . . 0.0 110.515 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.56 -44.57 90.74 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 90.7 mt -63.17 -40.67 89.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.764 0.316 . . . . 0.0 110.436 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 tp -58.86 -41.44 87.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.517 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.834 HD11 ' CE2' ' A' ' 14' ' ' PHE . 90.5 mt -62.11 -54.25 36.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.649 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.608 ' O ' HG23 ' A' ' 23' ' ' VAL . 2.3 m-85 -54.57 -47.79 72.84 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.506 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.32 -45.89 69.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.463 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.49 -44.94 96.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.573 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.3 mm -62.65 -36.55 75.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.838 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 19' ' ' PHE . 57.5 t -69.82 -51.58 39.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.356 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.436 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 85.2 m -61.29 -31.07 70.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.205 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' A' ' 25' ' ' TYR . 26.7 t80 -72.1 -46.68 55.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.574 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 85.4 m -55.24 -35.39 64.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.509 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 57.0 mt -71.62 -50.34 40.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.531 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.436 ' OD1' ' O ' ' A' ' 24' ' ' THR . 29.4 m120 -57.65 -30.93 65.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.45 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.7 -48.04 64.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.576 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -53.22 -43.24 67.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.65 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.15 -49.41 75.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.723 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.404 ' OD2' ' O ' ' A' ' 28' ' ' ASN . 5.9 m-20 . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.592 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.973 0.416 . . . . 0.0 110.543 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -70.51 -46.62 63.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.745 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.544 HD22 ' N ' ' A' ' 5' ' ' LEU . 3.8 mm? -58.35 -33.42 69.53 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.701 -179.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.18 -47.76 64.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.713 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.5 mt -59.87 -40.01 87.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.553 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.6 mm -64.04 -45.4 96.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.644 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.0 m -61.94 -42.38 99.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.456 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.1 tp -62.18 -42.59 99.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.505 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.2 m -58.64 -47.07 85.65 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.611 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.88 -39.73 86.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.659 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.74 -44.21 97.16 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.776 ' CE2' HD11 ' A' ' 18' ' ' ILE . 59.6 t80 -57.31 -51.5 69.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.909 0.385 . . . . 0.0 110.526 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.41 -38.83 88.99 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 69.4 mt -66.59 -50.6 65.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.673 0.273 . . . . 0.0 110.759 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 tp -53.84 -35.95 62.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.463 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.776 HD11 ' CE2' ' A' ' 14' ' ' PHE . 73.7 mt -64.0 -54.73 27.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.358 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.718 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -54.39 -46.1 73.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.485 179.505 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.33 -45.1 72.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.632 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 42.8 tp -58.71 -53.57 56.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.296 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.6 mt -55.96 -34.03 36.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.347 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 19' ' ' PHE . 75.1 t -69.91 -49.11 59.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.517 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.7 m -63.44 -30.67 71.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.472 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -70.55 -44.61 67.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.356 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 71.4 m -59.69 -39.88 86.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.45 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.9 mt -65.95 -46.58 87.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.521 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.424 ' O ' ' OD1' ' A' ' 32' ' ' ASP . 15.5 m120 -50.78 -40.95 56.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.602 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.51 -50.78 66.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.496 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -54.16 -31.82 53.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.557 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.19 -47.39 11.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.498 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' A' ' 28' ' ' ASN . 14.0 m-20 . . . . . 0 C--N 1.326 -0.425 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.576 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.771 0.32 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -56.68 -44.23 81.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.54 -179.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.2 mt -66.31 -46.04 78.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.621 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -56.29 -39.26 72.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.55 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.5 mt -67.87 -41.64 82.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.569 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.763 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.7 mm -58.36 -47.5 87.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.56 179.268 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 65.8 m -54.53 -49.32 70.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.574 179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.6 mt -60.81 -43.56 98.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.623 -179.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.5 m -62.19 -42.53 99.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.642 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 8' ' ' ILE . 52.1 t -60.06 -48.88 86.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.539 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.09 -46.86 93.13 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.709 ' CE2' HD11 ' A' ' 18' ' ' ILE . 78.6 t80 -57.91 -45.75 86.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.787 0.327 . . . . 0.0 110.61 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.8 -37.82 94.26 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.844 -0.903 . . . . 0.0 110.844 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 76.6 mt -71.29 -41.04 74.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.748 0.308 . . . . 0.0 110.583 -178.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 mp -56.53 -40.33 74.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.601 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.709 HD11 ' CE2' ' A' ' 14' ' ' PHE . 76.3 mt -63.55 -54.73 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.554 -179.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.523 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.5 OUTLIER -55.48 -47.0 76.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.558 179.702 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.2 m -59.74 -38.33 81.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.505 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.4 tt -62.05 -53.96 48.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.635 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 81.6 mt -52.46 -32.15 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.575 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 19' ' ' PHE . 99.2 t -72.17 -51.71 28.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.589 -179.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.9 m -62.29 -32.13 72.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.548 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -66.1 -42.76 88.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.577 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 90.8 m -62.22 -41.87 98.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.645 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 51.9 mt -65.05 -42.27 94.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.556 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -64.46 -48.63 74.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.618 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.28 -41.5 84.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.554 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt -57.89 -48.82 78.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.56 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.96 -39.52 94.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.611 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.595 -179.281 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.761 0.315 . . . . 0.0 110.578 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -63.2 -43.31 98.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.588 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.416 ' HA ' HD12 ' A' ' 8' ' ' ILE . 7.2 mt -62.4 -42.33 99.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.596 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -62.8 -47.8 81.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.6 -179.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.3 mt -58.17 -42.35 85.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.527 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 5' ' ' LEU . 44.9 mt -57.18 -50.58 76.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.593 179.49 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.9 m -51.81 -46.55 64.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.47 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 mp -66.95 -42.09 85.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.584 -179.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.8 m -53.86 -46.68 71.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.555 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.6 t -65.95 -44.86 92.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.543 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.35 -43.34 57.61 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.785 ' CE2' HD11 ' A' ' 18' ' ' ILE . 62.1 t80 -64.07 -49.29 72.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.816 0.341 . . . . 0.0 110.558 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.13 -40.56 93.81 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.7 mm -66.57 -43.31 90.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.751 0.31 . . . . 0.0 110.519 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.86 -39.1 80.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.519 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.785 HD11 ' CE2' ' A' ' 14' ' ' PHE . 86.8 mt -62.18 -53.76 43.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.568 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.672 ' O ' HG23 ' A' ' 23' ' ' VAL . 2.1 m-85 -58.48 -43.15 88.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.57 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.05 -45.99 82.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.593 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 57.6 tp -63.74 -50.91 67.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.629 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 68.9 mt -52.91 -33.0 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.543 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 19' ' ' PHE . 98.0 t -71.99 -52.79 22.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.609 -179.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 42.1 m -61.9 -31.67 71.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.544 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -64.7 -50.72 65.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.551 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 75.0 m -58.58 -38.5 78.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.586 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.2 mm -61.6 -49.34 84.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.568 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -61.13 -39.42 89.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.526 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.12 -48.68 80.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.577 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -53.47 -47.85 69.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.603 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.4 -42.26 92.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.618 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.633 -179.734 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 43.9 mttt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.809 0.337 . . . . 0.0 110.562 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -62.22 -52.19 64.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.552 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.7 mt -60.95 -35.14 75.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.592 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -58.98 -42.8 90.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.525 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.2 mt -63.28 -49.09 75.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.591 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.3 mm -57.83 -40.92 78.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.538 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 54.4 m -59.2 -45.62 90.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.604 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.1 mp -64.55 -37.13 86.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.602 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.1 m -60.94 -50.44 73.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.58 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.02 -43.25 98.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.617 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.2 -43.76 96.92 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.624 ' CE2' HD11 ' A' ' 18' ' ' ILE . 77.4 t80 -64.55 -38.14 90.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.779 0.323 . . . . 0.0 110.533 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.85 -44.19 98.35 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 59.4 mt -65.75 -39.57 85.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.777 0.322 . . . . 0.0 110.599 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 tp -56.48 -38.56 71.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.589 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.624 HD11 ' CE2' ' A' ' 14' ' ' PHE . 69.6 mt -66.11 -51.78 55.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.576 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.725 ' O ' HG23 ' A' ' 23' ' ' VAL . 2.9 m-85 -58.54 -40.62 83.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.593 179.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.1 m -60.91 -42.59 98.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.634 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 42.8 tp -60.6 -48.55 81.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.586 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.9 mt -58.55 -34.79 52.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.576 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 19' ' ' PHE . 58.8 t -69.59 -51.28 43.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.515 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 85.3 m -61.64 -30.91 71.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.551 179.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -66.78 -49.12 66.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.487 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 95.1 m -54.31 -42.68 70.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.525 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.1 mt -65.19 -50.67 72.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.576 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -48.11 -39.07 19.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.488 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.62 -50.44 44.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.578 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 71.6 mttt -60.29 -18.74 51.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.556 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.31 -47.61 9.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.547 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.617 179.949 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.0 tttp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.707 0.289 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -59.44 -40.62 87.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.669 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 mt -70.79 -40.42 72.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.496 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -61.91 -43.37 98.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.334 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 mt -62.85 -41.62 99.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.537 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.411 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.1 mm -62.97 -51.26 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.823 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 87.2 m -52.7 -39.57 62.12 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.364 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 tp -70.46 -52.17 24.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.787 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.0 m -49.09 -42.4 38.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.462 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 8' ' ' ILE . 58.6 t -69.01 -56.23 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.71 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -51.78 -41.21 50.56 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.548 ' CE2' HD11 ' A' ' 18' ' ' ILE . 67.3 t80 -57.98 -53.29 59.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.761 0.315 . . . . 0.0 110.744 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.12 -33.61 87.71 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.1 mm -66.98 -47.65 81.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.755 0.312 . . . . 0.0 110.678 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.9 mt -57.98 -42.41 85.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.42 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.548 HD11 ' CE2' ' A' ' 14' ' ' PHE . 24.2 mt -60.81 -53.01 54.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.661 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.573 ' O ' HG23 ' A' ' 23' ' ' VAL . 1.2 t80 -58.85 -46.89 86.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.512 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.5 t -54.06 -38.94 65.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.604 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.1 -47.39 58.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.52 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 mm -59.23 -28.73 40.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.763 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 19' ' ' PHE . 74.4 t -74.78 -52.25 19.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.968 0.413 . . . . 0.0 110.615 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 42.5 m -62.05 -31.77 72.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.965 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -67.49 -43.58 80.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.482 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 98.4 m -61.67 -43.01 99.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.563 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.0 mt -61.2 -44.5 98.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.557 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.432 ' O ' ' OD1' ' A' ' 32' ' ' ASP . 95.8 m-20 -62.55 -42.92 99.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.567 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.5 -43.38 97.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.576 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -59.48 -41.99 91.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.716 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.8 -45.94 76.8 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.835 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 28' ' ' ASN . 1.1 m-20 . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.663 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.459 ' CG ' ' N ' ' A' ' 4' ' ' GLU . 9.0 ptmm? . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.816 0.341 . . . . 0.0 110.5 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.459 ' N ' ' CG ' ' A' ' 3' ' ' LYS . 35.4 tt0 -57.63 -50.61 72.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.372 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.9 mt -56.88 -40.96 77.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.583 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -64.01 -50.08 69.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.607 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mt -53.99 -42.62 69.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.544 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.9 mm -60.04 -47.17 92.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.666 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.6 m -56.49 -41.76 77.15 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.554 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 10' ' ' LEU . 1.4 mm? -60.33 -44.96 95.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.74 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 60.1 m -60.12 -47.1 87.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 93.9 t -63.05 -44.15 99.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.654 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.73 -42.44 99.41 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.802 ' CE2' HD11 ' A' ' 18' ' ' ILE . 59.0 t80 -61.73 -46.32 90.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.793 0.33 . . . . 0.0 110.542 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.461 ' HA2' HD12 ' A' ' 18' ' ' ILE . . . -61.17 -43.52 99.3 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.3 mm -62.04 -46.22 96.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.798 0.332 . . . . 0.0 110.61 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mt -56.07 -39.06 71.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.502 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.802 HD11 ' CE2' ' A' ' 14' ' ' PHE . 67.9 mt -62.66 -53.5 46.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.278 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.507 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -61.52 -38.28 86.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.413 179.936 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.4 t -58.23 -44.85 88.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.576 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.405 ' HA ' HD12 ' A' ' 21' ' ' LEU . 46.7 tp -64.63 -50.38 67.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.399 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 85.5 mt -52.45 -34.39 18.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.3 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 19' ' ' PHE . 67.4 t -68.99 -51.02 48.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.361 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.6 m -62.21 -28.92 70.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.266 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -66.89 -45.16 78.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.349 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 85.1 m -59.24 -40.6 86.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.596 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.6 mm -67.71 -48.4 76.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.6 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -49.51 -39.86 35.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.554 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.75 -51.79 56.35 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.578 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -57.08 -21.61 33.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.61 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.99 -43.88 13.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.603 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.616 -179.891 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.8 mttt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.832 0.349 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -67.36 -42.51 83.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.629 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.6 mt -62.73 -40.88 98.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.51 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -65.07 -38.47 90.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.73 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.9 mt -63.62 -43.8 95.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.726 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 82.5 mt -67.14 -38.0 80.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.586 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 85.9 m -69.42 -38.69 77.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.756 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mt -61.14 -44.6 97.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.488 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.3 m -61.34 -45.9 92.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.527 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.3 t -58.6 -49.64 81.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.521 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.22 -40.47 98.62 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -63.3 -52.03 63.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.651 0.263 . . . . 0.0 110.529 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.09 -38.29 55.75 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.9 mt -69.13 -40.96 81.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.767 0.318 . . . . 0.0 110.737 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 tp -56.38 -39.8 73.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.592 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.1 mm -66.52 -51.33 58.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.023 0.44 . . . . 0.0 110.321 -179.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.633 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -58.04 -46.84 84.7 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.362 179.912 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.0 m -56.52 -39.34 73.19 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.279 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.694 HD13 ' C ' ' A' ' 21' ' ' LEU . 3.1 tm? -61.43 -54.83 38.39 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.171 -0.611 . . . . 0.0 110.497 -179.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 54.0 mt -54.93 -29.95 22.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.768 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 19' ' ' PHE . 86.1 t -75.27 -51.32 21.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.54 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 84.1 m -61.09 -31.24 70.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.232 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -69.12 -50.53 47.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.711 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 76.0 m -54.94 -39.94 69.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.42 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 65.8 mt -64.42 -49.03 82.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.64 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -54.13 -43.73 70.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.547 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.72 -47.96 82.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.52 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.9 mttp -64.39 -41.53 96.62 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.629 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.81 -41.99 99.53 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.51 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.749 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.4 mmtm . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.813 0.34 . . . . 0.0 110.587 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -59.5 -46.6 88.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.524 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.501 HD22 ' N ' ' A' ' 5' ' ' LEU . 4.1 mm? -61.29 -39.49 90.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.657 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.75 -42.87 97.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.647 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.6 mt -59.19 -47.62 84.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.549 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.744 ' O ' HG23 ' A' ' 12' ' ' VAL . 11.5 mt -59.68 -38.43 75.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.567 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.9 m -63.39 -46.46 86.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.634 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 tt -60.72 -35.38 76.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.689 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.1 m -67.69 -41.66 83.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.516 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 8' ' ' ILE . 26.4 t -64.26 -37.18 79.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.547 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.58 -46.06 64.02 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.747 ' CE2' HD11 ' A' ' 18' ' ' ILE . 66.1 t80 -59.88 -43.09 94.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.815 0.341 . . . . 0.0 110.608 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.38 -40.45 99.07 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.7 mt -67.08 -43.71 88.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.691 0.281 . . . . 0.0 110.554 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 tp -56.39 -41.62 76.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.256 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.747 HD11 ' CE2' ' A' ' 14' ' ' PHE . 71.9 mt -61.13 -53.75 44.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.526 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.629 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -53.18 -49.41 66.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.531 179.781 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.8 p -59.23 -37.9 78.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.744 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 53.3 tp -66.97 -48.63 67.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.636 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.436 ' O ' ' SG ' ' A' ' 26' ' ' CYS . 56.5 mt -58.51 -26.86 32.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.511 -179.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 19' ' ' PHE . 91.6 t -74.09 -52.23 21.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.522 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.4 m -65.98 -31.89 73.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.48 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -65.94 -51.07 61.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.542 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.436 ' SG ' ' O ' ' A' ' 22' ' ' ILE . 76.9 m -57.67 -45.73 85.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.479 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.1 mm -58.78 -48.77 85.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.677 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.41 HD22 ' N ' ' A' ' 28' ' ' ASN . 1.2 m120 -58.88 -48.16 82.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.596 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.77 -44.2 77.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.547 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.1 mmtm -60.68 -45.97 92.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.591 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.43 -41.16 93.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.709 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.705 -179.955 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.8 ptmm? . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.904 0.383 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -68.6 -46.21 69.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.463 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.533 HD22 ' N ' ' A' ' 5' ' ' LEU . 4.1 mm? -63.13 -29.91 71.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.691 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -68.92 -41.08 78.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.382 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.4 mt -61.71 -41.0 97.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.461 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.696 ' O ' HG23 ' A' ' 12' ' ' VAL . 49.9 mm -64.44 -41.82 93.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.564 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 34.5 m -64.3 -44.9 90.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.571 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 mt -55.0 -40.63 70.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.548 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.8 m -68.85 -45.47 71.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.567 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 8' ' ' ILE . 60.9 t -54.39 -41.67 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.548 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.97 -46.22 82.84 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.76 ' CE2' HD11 ' A' ' 18' ' ' ILE . 79.4 t80 -58.85 -43.32 90.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.9 0.381 . . . . 0.0 110.537 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.02 -45.87 93.29 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 74.1 mt -63.57 -39.78 86.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.918 0.389 . . . . 0.0 110.409 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.95 -40.54 80.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.621 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.76 HD11 ' CE2' ' A' ' 14' ' ' PHE . 81.8 mt -62.59 -51.81 67.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.416 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.827 ' O ' HG23 ' A' ' 23' ' ' VAL . 39.3 t80 -55.78 -44.75 78.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.573 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.17 -43.29 99.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.592 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.7 tp -56.25 -52.77 63.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.297 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 73.0 mt -56.95 -35.93 48.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.83 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' ' 19' ' ' PHE . 61.1 t -64.72 -51.79 62.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.631 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.491 ' HA ' HD12 ' A' ' 27' ' ' ILE . 78.9 m -65.62 -31.05 71.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.276 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -60.76 -41.24 95.09 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.606 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.7 m -70.42 -44.58 67.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.623 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.491 HD12 ' HA ' ' A' ' 24' ' ' THR . 96.5 mt -50.68 -43.08 23.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.482 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -67.3 -45.99 74.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.487 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.31 -38.23 73.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.634 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -73.53 -46.26 48.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.71 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.66 -35.93 44.22 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.53 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 . . . . . 0 C--N 1.325 -0.494 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.503 -179.89 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.2 mttt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.781 0.325 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -64.14 -49.01 73.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.538 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.547 ' N ' HD12 ' A' ' 5' ' ' LEU . 9.8 mp -56.57 -36.49 69.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.549 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -61.83 -49.32 76.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.533 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.2 mt -62.47 -41.0 98.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.556 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 75.6 mt -60.36 -49.7 83.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.489 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 89.8 m -59.88 -41.95 92.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.594 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.04 -46.11 78.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.55 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.1 m -59.84 -47.84 84.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.496 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 82.5 t -53.91 -48.74 62.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.513 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.14 -47.44 88.24 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.815 ' CE2' HD11 ' A' ' 18' ' ' ILE . 56.3 t80 -57.74 -43.98 85.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.781 0.324 . . . . 0.0 110.597 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.98 -41.12 97.76 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 69.2 mt -67.19 -43.65 88.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.769 0.319 . . . . 0.0 110.56 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 mp -57.0 -44.1 82.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.59 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.815 HD11 ' CE2' ' A' ' 14' ' ' PHE . 62.2 mt -57.2 -54.38 31.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.597 179.497 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.653 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -58.45 -39.59 80.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.494 -179.71 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.3 m -63.84 -38.24 90.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.573 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.51 -47.81 84.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.532 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 36.3 mt -63.04 -30.13 48.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.594 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 19' ' ' PHE . 92.7 t -70.75 -51.84 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.463 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.8 m -63.85 -30.69 71.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.538 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -66.02 -44.89 83.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.557 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 93.7 m -58.91 -45.61 89.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.6 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.2 mt -60.74 -47.69 92.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.541 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -56.55 -41.34 76.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.587 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.21 -45.43 94.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.565 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.0 mttt -57.39 -44.85 84.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.51 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.26 -48.75 80.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.574 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.557 -179.876 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.75 -35.66 71.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.548 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.7 mttp -60.29 -52.0 67.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.586 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -57.52 -40.62 79.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.577 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.2 mt -65.44 -44.21 88.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.59 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -60.19 -41.99 94.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.447 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.2 mt -62.38 -44.8 95.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.584 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 54.5 mt -61.18 -44.23 97.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.565 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.4 m -60.2 -43.06 96.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.507 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.597 HD23 ' O ' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -65.2 -36.5 84.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.547 179.881 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 63.4 m -59.69 -42.78 93.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.511 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 82.1 t -66.31 -42.88 91.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.573 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.11 -46.42 91.55 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.864 ' CE2' HD11 ' A' ' 18' ' ' ILE . 35.8 t80 -63.32 -38.96 93.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.736 0.303 . . . . 0.0 110.666 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.15 -40.26 97.89 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.4 mt -62.64 -42.9 97.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.709 0.29 . . . . 0.0 110.357 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mt -60.33 -42.86 96.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.484 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.864 HD11 ' CE2' ' A' ' 14' ' ' PHE . 89.3 mt -56.95 -53.74 38.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.485 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.447 ' O ' HG23 ' A' ' 23' ' ' VAL . 5.8 t80 -57.3 -49.3 76.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.553 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.91 -43.45 69.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.52 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.65 -49.46 75.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.532 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 43.6 mt -59.8 -27.0 37.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.722 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 19' ' ' PHE . 53.8 t -74.61 -50.16 27.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.592 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 91.2 m -67.76 -32.54 73.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.401 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.491 ' CD1' ' C ' ' A' ' 25' ' ' TYR . 11.6 t80 -65.23 -46.46 80.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.412 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 97.3 m -61.13 -39.45 90.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.398 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.8 mt -68.51 -42.26 83.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.418 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -56.45 -41.4 76.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.374 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.27 -43.15 78.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.568 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -53.82 -45.93 70.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.67 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.528 ' HA ' HD12 ' A' ' 34' ' ' LEU . . . -63.31 -43.72 97.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.705 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.524 ' HA ' ' HB3' ' A' ' 37' ' ' ALA . 1.8 m-20 -58.11 -29.36 65.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.72 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.8 t -88.67 -43.37 15.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 31' ' ' ALA . 10.4 mt -45.75 -36.13 4.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.701 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.62 ' O ' ' C ' ' A' ' 36' ' ' ILE . 78.1 m-85 -135.11 73.47 1.48 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.521 178.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.62 ' C ' ' O ' ' A' ' 35' ' ' PHE . 18.4 mm 1.51 70.89 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 O-C-N 124.4 1.062 . . . . 0.0 111.081 179.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.582 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -109.08 161.37 24.04 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.138 -178.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.582 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 51.4 Cg_exo -40.67 135.66 2.05 Favored 'Trans proline' 0 C--N 1.304 -1.801 0 C-N-CA 122.939 2.426 . . . . 0.0 112.216 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.39 133.95 37.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.514 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.26 158.12 67.77 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 121.133 0.492 . . . . 0.0 110.578 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -64.91 117.86 4.91 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.719 2.279 . . . . 0.0 112.224 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 49.28 21.38 2.79 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.869 -0.893 . . . . 0.0 110.869 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 48.84 23.45 0.68 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.823 0.344 . . . . 0.0 110.529 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.8 t -81.56 119.75 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.518 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.5 p -68.24 145.66 54.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.56 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.508 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.414 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.414 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 1.1 p 75.47 -0.24 3.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.575 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -61.6 -47.57 84.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.598 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -60.86 -40.03 91.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.439 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.502 ' N ' HD12 ' A' ' 5' ' ' LEU . 10.7 mp -62.83 -42.74 99.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.525 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -63.28 -44.57 94.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.636 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.7 mt -60.31 -47.77 84.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.561 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.562 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.7 mm -60.2 -46.07 95.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.693 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.1 m -57.24 -47.07 82.3 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.518 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mp -57.28 -41.92 80.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.582 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 51.7 m -65.34 -42.49 92.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.445 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 8' ' ' ILE . 84.8 t -57.7 -48.27 83.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.495 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.97 -39.09 95.14 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.777 ' CE2' HD11 ' A' ' 18' ' ' ILE . 71.8 t80 -65.31 -39.73 92.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.906 0.384 . . . . 0.0 110.546 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.65 -43.17 96.78 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 63.7 mt -67.32 -34.29 68.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.747 0.308 . . . . 0.0 110.366 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 tp -64.05 -39.49 94.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.391 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.777 HD11 ' CE2' ' A' ' 14' ' ' PHE . 62.7 mt -63.5 -51.27 72.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.497 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.745 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -57.39 -49.17 77.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.665 179.861 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.2 m -58.74 -39.8 81.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.508 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 49.9 tp -61.22 -50.99 70.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.409 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.5 mt -61.76 -28.04 43.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.602 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 19' ' ' PHE . 89.5 t -74.43 -51.14 23.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.426 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.3 m -61.58 -30.85 70.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.188 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -66.95 -51.89 49.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.679 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 68.3 m -55.66 -35.66 66.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.405 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.3 mm -69.38 -49.5 59.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.64 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -55.06 -38.71 68.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.401 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.643 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -65.43 -46.66 79.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.574 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -61.74 -27.34 68.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.713 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.42 -40.77 16.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.75 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -58.19 -28.17 64.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.417 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 29' ' ' ALA . 98.5 t -60.38 -19.16 17.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.701 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.572 ' N ' HD12 ' A' ' 34' ' ' LEU . 9.1 mp -94.22 13.63 22.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.87 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.504 ' O ' ' N ' ' A' ' 37' ' ' ALA . 18.2 m-85 -118.38 80.55 1.54 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.753 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.841 ' N ' HD12 ' A' ' 36' ' ' ILE . 2.6 mp 36.22 29.53 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.521 -0.163 0 CA-C-O 121.213 0.53 . . . . 0.0 110.481 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.555 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -46.05 160.63 0.29 Allowed Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.603 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.555 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 43.0 Cg_endo -69.96 153.68 67.74 Favored 'Trans proline' 0 C--N 1.308 -1.591 0 C-N-CA 122.722 2.281 . . . . 0.0 112.203 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -83.02 159.09 22.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.363 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.498 ' CD ' ' N ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -116.96 160.42 37.04 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.612 -179.762 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -38.88 139.9 0.44 Allowed 'Trans proline' 0 C--N 1.309 -1.548 0 C-N-CA 122.708 2.272 . . . . 0.0 112.355 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.65 -41.12 2.21 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.59 -8.79 59.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.719 0.295 . . . . 0.0 110.698 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.6 t 58.8 154.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.652 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.1 160.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.466 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 39.8 p90 . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.618 -179.944 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 p -147.51 160.77 42.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.573 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.21 -37.52 62.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.598 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -66.18 -52.41 48.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.561 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.6 mt -58.21 -35.33 71.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.524 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.5 -48.04 81.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.546 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.0 mt -60.46 -46.03 91.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.687 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.487 ' O ' HG23 ' A' ' 12' ' ' VAL . 96.4 mt -60.31 -39.25 80.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.41 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.7 m -61.64 -47.12 86.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.524 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.9 -50.72 72.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.68 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 42.2 m -54.66 -44.42 73.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.476 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 8' ' ' ILE . 57.0 t -62.21 -45.36 98.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.471 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.08 -34.87 90.4 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.722 ' CE2' HD11 ' A' ' 18' ' ' ILE . 50.3 t80 -68.99 -43.02 75.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.75 0.31 . . . . 0.0 110.493 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.58 -35.48 91.87 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 80.4 mt -71.91 -39.88 67.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.727 0.299 . . . . 0.0 110.407 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.11 -35.77 74.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.395 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.722 HD11 ' CE2' ' A' ' 14' ' ' PHE . 76.0 mt -68.75 -51.72 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.441 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.631 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -55.73 -42.0 74.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.534 179.861 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.4 t -63.2 -39.74 95.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.506 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.25 -53.16 60.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.513 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.4 mt -58.48 -31.42 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.762 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 19' ' ' PHE . 54.2 t -68.37 -49.89 62.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.472 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.0 m -66.87 -31.34 71.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.266 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -66.36 -45.71 79.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.706 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 93.7 m -60.37 -44.75 95.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.589 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 83.6 mt -58.4 -41.9 82.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.474 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -65.15 -46.55 80.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.6 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.64 -41.19 69.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.442 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -63.83 -46.69 83.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.637 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.443 ' HA ' HD12 ' A' ' 34' ' ' LEU . . . -61.47 -39.59 91.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.611 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.601 ' HA ' ' HB2' ' A' ' 37' ' ' ALA . 1.1 m-20 -57.82 -43.54 85.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.634 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.7 t -73.82 -46.17 47.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.034 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 31' ' ' ALA . 10.2 mt -45.48 -37.03 4.86 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.402 -179.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.577 ' O ' ' C ' ' A' ' 36' ' ' ILE . 94.3 m-85 -136.06 74.0 1.48 Allowed 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.528 178.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.577 ' C ' ' O ' ' A' ' 35' ' ' PHE . 18.4 mm -0.21 70.51 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 O-C-N 124.761 1.288 . . . . 0.0 110.876 179.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.601 ' HB2' ' HA ' ' A' ' 32' ' ' ASP . . . -40.15 160.23 0.12 Allowed Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.591 -179.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.517 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 44.2 Cg_endo -70.74 -171.55 0.57 Allowed 'Trans proline' 0 C--N 1.307 -1.653 0 C-N-CA 122.67 2.246 . . . . 0.0 111.956 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -121.39 154.24 36.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.492 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.432 ' C ' ' H ' ' A' ' 42' ' ' GLY . 0.5 OUTLIER -101.06 161.81 22.54 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.602 -179.729 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -71.85 29.2 0.25 Allowed 'Trans proline' 0 C--N 1.309 -1.548 0 C-N-CA 122.734 2.289 . . . . 0.0 112.159 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.432 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . 52.42 25.12 19.15 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -135.96 102.18 4.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.809 0.338 . . . . 0.0 110.629 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.5 t -52.44 100.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.541 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.8 t -145.18 178.13 8.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.579 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.5 t80 . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.556 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.9 m -64.78 -12.04 43.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.55 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -62.3 -34.81 77.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.48 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.92 -45.58 94.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.479 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.509 HD22 ' N ' ' A' ' 5' ' ' LEU . 4.3 mm? -62.63 -39.21 93.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.486 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.3 -46.2 90.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.518 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.7 mt -57.42 -42.28 82.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.577 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 90.8 mt -65.29 -43.54 95.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.649 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 82.0 m -58.31 -48.34 80.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.396 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.64 -37.55 86.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.471 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 61.3 m -52.59 -49.57 64.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.54 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.6 t -64.0 -42.85 97.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.644 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.52 -40.28 97.55 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.785 ' CE2' HD11 ' A' ' 18' ' ' ILE . 81.9 t80 -65.65 -40.2 92.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.321 . . . . 0.0 110.523 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.67 -39.02 97.1 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 97.5 mt -68.12 -41.72 84.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.738 0.304 . . . . 0.0 110.412 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 tt -56.89 -42.25 79.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.508 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.785 HD11 ' CE2' ' A' ' 14' ' ' PHE . 39.0 mt -62.12 -53.59 45.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.43 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.646 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -55.26 -45.1 76.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.507 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.8 t -54.97 -48.34 73.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.714 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.1 tt -64.89 -49.19 71.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.4 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 mm -53.84 -30.73 19.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.726 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 19' ' ' PHE . 78.9 t -72.48 -52.37 23.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.395 -179.65 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 88.1 m -62.47 -30.96 71.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.159 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -69.45 -49.84 51.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.598 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 59.7 m -57.99 -35.99 72.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.526 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 65.0 mt -70.63 -48.65 57.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.546 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -49.67 -40.87 41.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.45 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.64 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -67.41 -48.25 67.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.432 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.8 mmtt -53.17 -33.27 51.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.652 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.28 -49.89 11.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.741 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -51.61 -26.66 9.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.484 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 29' ' ' ALA . 80.5 t -65.85 -15.29 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.81 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.589 ' N ' HD12 ' A' ' 34' ' ' LEU . 10.2 mp -99.41 0.07 41.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.709 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.428 ' O ' ' C ' ' A' ' 36' ' ' ILE . 77.3 m-85 -135.12 79.92 1.81 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.411 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.428 ' C ' ' O ' ' A' ' 35' ' ' PHE . 23.9 mm 35.03 64.17 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.52 -0.176 0 CA-C-O 121.277 0.561 . . . . 0.0 110.341 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.614 ' HB2' ' HA ' ' A' ' 33' ' ' VAL . . . -42.77 162.14 0.17 Allowed Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.508 -179.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.565 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 48.1 Cg_endo -71.61 166.92 27.93 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.622 2.214 . . . . 0.0 112.005 179.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.41 ' O ' ' CG ' ' A' ' 39' ' ' ARG . 4.6 ptp180 -121.96 129.4 52.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.673 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -55.42 152.95 15.37 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.604 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -64.73 90.45 0.19 Allowed 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 122.859 2.373 . . . . 0.0 112.201 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.407 ' C ' ' N ' ' A' ' 44' ' ' VAL . . . 109.36 9.25 25.81 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.45 -22.8 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.899 0.38 . . . . 0.0 110.644 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.407 ' N ' ' C ' ' A' ' 42' ' ' GLY . 67.1 t -74.99 -62.33 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.649 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t -73.57 -58.3 3.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.557 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.559 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m 53.02 33.76 15.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.577 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.8 tttm -65.04 -42.53 94.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.557 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -58.89 -44.1 91.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.319 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.5 mt -65.6 -45.49 82.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.551 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -57.77 -50.88 71.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.656 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.8 mt -54.64 -45.91 73.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.529 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.6 mm -60.51 -52.99 55.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.632 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.8 m -54.41 -37.23 64.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.452 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 mt -69.02 -50.1 51.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.596 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.6 m -51.12 -42.38 60.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.486 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.0 t -67.2 -41.92 87.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.608 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.14 -35.8 92.57 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.567 ' CE2' HD11 ' A' ' 18' ' ' ILE . 62.1 t80 -65.28 -48.35 73.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.805 0.336 . . . . 0.0 110.486 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.2 -33.79 88.21 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.0 mm -72.22 -38.85 63.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.748 0.309 . . . . 0.0 110.417 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.48 -41.8 94.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.282 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.567 HD11 ' CE2' ' A' ' 14' ' ' PHE . 16.8 mt -63.62 -50.61 77.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.227 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.459 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.5 OUTLIER -60.25 -47.57 85.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.399 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.0 m -53.48 -38.08 63.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.659 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.1 -54.21 23.54 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.596 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.0 mt -52.95 -29.43 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.491 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 19' ' ' PHE . 75.2 t -74.43 -51.78 21.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.652 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 49.6 m -61.28 -31.47 71.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.331 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.447 ' C ' ' CD1' ' A' ' 25' ' ' TYR . 20.4 t80 -67.76 -48.52 66.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.561 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.5 m -56.37 -39.3 72.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.472 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 80.5 mt -69.26 -48.64 67.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.561 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.411 HD22 ' N ' ' A' ' 28' ' ' ASN . 0.9 OUTLIER -49.28 -38.36 26.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.664 179.875 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.544 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -72.64 -53.03 12.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.622 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -53.61 -24.63 14.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.448 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.69 -41.51 13.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.401 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -58.85 -23.84 61.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.536 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 29' ' ' ALA . 78.2 t -63.9 -13.85 14.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.654 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.557 HD12 ' N ' ' A' ' 34' ' ' LEU . 8.4 mp -98.61 8.02 45.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.655 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.551 ' O ' ' N ' ' A' ' 37' ' ' ALA . 28.7 m-85 -108.66 80.01 1.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.431 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.875 ' N ' HD12 ' A' ' 36' ' ' ILE . 2.9 mp 35.71 28.3 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.571 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.561 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -46.65 160.61 0.31 Allowed Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.525 -179.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.561 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 32.5 Cg_endo -65.5 165.33 23.04 Favored 'Trans proline' 0 C--N 1.304 -1.801 0 C-N-CA 122.739 2.293 . . . . 0.0 112.018 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.92 154.33 20.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.554 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.565 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 1.0 OUTLIER -71.29 156.41 91.73 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.563 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -66.76 14.37 0.13 Allowed 'Trans proline' 0 C--N 1.303 -1.856 0 C-N-CA 122.869 2.379 . . . . 0.0 111.919 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.496 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . 60.73 21.66 58.55 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 60.64 18.74 8.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.739 0.304 . . . . 0.0 110.605 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.693 HG12 ' H ' ' A' ' 45' ' ' SER . 10.9 t 40.48 -129.93 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.283 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.693 ' H ' HG12 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -96.6 165.66 12.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.522 -179.883 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.6 t80 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.536 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 61.03 4.92 0.9 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.611 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -61.99 -46.89 87.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.605 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.28 -42.52 86.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.467 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.5 mt -63.51 -47.94 79.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.539 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -56.72 -35.71 68.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.605 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.7 mt -69.39 -47.56 63.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.665 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.7 mt -61.64 -39.91 84.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.54 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 91.1 m -61.81 -48.23 81.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.575 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 mp -56.43 -44.58 80.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.616 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.7 m -56.47 -50.99 70.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.602 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.8 t -56.85 -44.44 82.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.58 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.58 -44.11 97.08 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.644 ' CE2' HD11 ' A' ' 18' ' ' ILE . 53.6 t80 -65.93 -40.37 91.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.751 0.31 . . . . 0.0 110.523 -179.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.66 -42.74 99.43 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 57.2 mt -68.81 -40.66 81.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.712 0.292 . . . . 0.0 110.43 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.7 -39.44 73.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.648 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.644 HD11 ' CE2' ' A' ' 14' ' ' PHE . 40.6 mt -64.9 -52.53 52.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.494 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.552 ' O ' HG23 ' A' ' 23' ' ' VAL . 2.4 m-85 -59.92 -38.38 82.18 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.587 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 t -62.08 -43.07 99.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.612 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.1 tp -63.09 -48.52 78.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.558 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.0 mt -59.29 -31.1 45.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.576 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 19' ' ' PHE . 60.3 t -74.26 -51.19 24.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.519 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.8 m -61.9 -31.71 72.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.191 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -66.07 -46.85 76.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.45 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 98.9 m -57.09 -43.44 82.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.614 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 97.3 mt -61.19 -50.27 81.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.541 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.6 m-20 -59.34 -44.83 92.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.53 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.31 -50.21 67.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.567 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.9 mmtm -63.04 -42.3 99.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.622 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.475 ' HA ' HD12 ' A' ' 34' ' ' LEU . . . -65.58 -39.26 91.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.61 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.55 ' HA ' ' HB3' ' A' ' 37' ' ' ALA . 53.5 m-20 -56.85 -43.78 81.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.49 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.2 t -71.41 -46.09 65.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.078 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 31' ' ' ALA . 8.6 mt -45.98 -37.8 6.97 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.711 -179.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.603 ' O ' ' C ' ' A' ' 36' ' ' ILE . 98.0 m-85 -134.71 73.26 1.48 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.609 178.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.603 ' C ' ' O ' ' A' ' 35' ' ' PHE . 17.9 mm 2.7 66.19 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 O-C-N 124.525 1.141 . . . . 0.0 110.849 179.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.597 ' N ' ' O ' ' A' ' 35' ' ' PHE . . . -114.22 88.77 15.73 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.36 -179.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.42 171.14 0.3 Allowed 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.693 2.262 . . . . 0.0 111.928 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -115.55 139.38 50.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.489 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.69 156.83 0.34 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.577 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.475 ' C ' ' H ' ' A' ' 43' ' ' ALA . 29.5 Cg_endo -63.1 -83.87 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.859 2.373 . . . . 0.0 112.232 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . 59.23 2.07 1.29 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.475 ' H ' ' C ' ' A' ' 41' ' ' PRO . . . 64.51 28.85 13.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.819 0.342 . . . . 0.0 110.623 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 73.7 t -78.65 -64.36 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.604 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.8 m -94.48 57.8 2.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.569 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 31.6 t80 . . . . . 0 C--O 1.218 -0.567 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.596 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.486 ' C ' ' H ' ' A' ' 3' ' ' LYS . . . . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.01 -3.95 0.28 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.494 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.486 ' H ' ' C ' ' A' ' 1' ' ' ALA . 72.7 mttt -63.1 -35.72 81.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.602 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -61.62 -53.48 55.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.586 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.503 ' N ' HD12 ' A' ' 5' ' ' LEU . 10.8 mp -57.07 -38.31 73.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.561 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -67.92 -44.68 76.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.659 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.1 mt -55.71 -43.84 76.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.545 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.8 mt -63.19 -45.81 97.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.525 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 96.0 m -59.47 -40.07 85.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.506 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.3 -42.12 88.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.54 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 51.8 m -58.93 -38.55 79.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.53 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 96.4 t -66.06 -45.7 89.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.507 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.61 -38.44 93.72 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.789 ' CE2' HD11 ' A' ' 18' ' ' ILE . 88.8 t80 -66.42 -44.77 81.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.785 0.326 . . . . 0.0 110.636 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.04 -38.46 93.01 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 73.3 mt -67.72 -43.51 86.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.71 0.29 . . . . 0.0 110.488 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.16 -40.13 70.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.526 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.789 HD11 ' CE2' ' A' ' 14' ' ' PHE . 91.2 mt -62.45 -53.53 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.506 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.409 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -57.57 -45.16 85.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.611 179.868 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.24 -37.08 79.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.653 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.62 -53.11 59.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.495 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 83.4 mt -58.24 -31.58 42.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.722 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 19' ' ' PHE . 53.8 t -71.93 -49.5 44.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.632 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.409 HG22 ' ND2' ' A' ' 28' ' ' ASN . 54.2 m -64.96 -30.71 71.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.247 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.415 ' CD1' ' C ' ' A' ' 25' ' ' TYR . 30.1 t80 -65.85 -49.12 69.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.565 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 65.5 m -59.24 -45.77 90.28 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.622 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.6 mt -58.02 -41.39 80.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.589 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.409 ' ND2' HG22 ' A' ' 24' ' ' THR . 92.3 m-20 -69.35 -41.17 76.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.604 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.92 -38.69 67.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.517 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -73.71 -44.48 56.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.778 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.59 -27.67 58.57 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.471 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.562 ' HA ' ' HB3' ' A' ' 37' ' ' ALA . 19.4 m-20 -59.36 -17.71 32.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.54 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.613 ' O ' HG12 ' A' ' 33' ' ' VAL . 61.3 t -98.25 2.24 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.583 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.544 HD12 ' C ' ' A' ' 33' ' ' VAL . 10.5 mp -105.62 -30.64 9.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.939 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -133.96 -157.44 0.81 Allowed 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.284 0.564 . . . . 0.0 110.106 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.565 HG22 ' O ' ' A' ' 36' ' ' ILE . 3.9 mp -95.09 10.24 4.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.488 -179.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.603 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -43.25 162.73 0.17 Allowed Pre-proline 0 C--N 1.318 -0.763 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.548 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.603 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 56.2 Cg_exo -40.24 126.24 1.97 Allowed 'Trans proline' 0 C--N 1.311 -1.444 0 C-N-CA 122.787 2.325 . . . . 0.0 112.229 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -66.36 155.62 36.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.472 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.541 ' O ' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -103.93 161.7 22.15 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.578 -179.775 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_exo -41.24 -16.72 0.05 OUTLIER 'Trans proline' 0 C--N 1.309 -1.542 0 C-N-CA 122.769 2.313 . . . . 0.0 112.554 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 40' ' ' GLU . . . 107.06 -42.74 1.85 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -150.09 124.5 9.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.78 0.324 . . . . 0.0 110.545 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.5 t -52.21 -64.0 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.551 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.32 141.83 28.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.565 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.549 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.09 -12.63 20.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.45 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.1 tttp -59.63 -33.05 71.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.745 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -59.4 -54.0 51.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.782 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 mt -62.45 -34.47 76.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.511 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -57.68 -52.39 65.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.498 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.6 mt -59.81 -40.97 90.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.537 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.463 ' O ' HG23 ' A' ' 12' ' ' VAL . 4.1 mm -57.74 -49.5 80.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.641 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.7 m -63.36 -41.84 98.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.51 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 mt -58.89 -50.62 73.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.546 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 56.5 m -58.24 -43.96 88.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.76 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 8' ' ' ILE . 72.2 t -58.78 -47.72 88.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.532 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.72 -38.42 95.12 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.665 ' CE2' HD11 ' A' ' 18' ' ' ILE . 60.7 t80 -59.61 -52.24 66.4 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.016 -0.274 . . . . 0.0 110.331 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.76 -42.8 96.61 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.2 mt -63.21 -46.07 96.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.914 0.388 . . . . 0.0 110.68 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mp -55.62 -39.3 70.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.579 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.665 HD11 ' CE2' ' A' ' 14' ' ' PHE . 56.7 mt -66.57 -53.43 35.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.643 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.587 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -57.35 -42.07 81.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.634 -179.875 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.28 -38.89 84.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.427 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 tt -67.35 -52.0 45.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.5 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 83.0 mt -53.89 -29.45 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.62 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 19' ' ' PHE . 69.6 t -74.11 -49.86 31.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.333 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 92.8 m -61.76 -32.57 72.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.249 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -65.45 -48.4 72.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.7 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 85.7 m -56.37 -48.21 77.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.265 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.8 mm -57.18 -50.08 77.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.243 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -51.91 -45.27 64.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.636 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.508 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -63.67 -45.48 89.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.475 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.69 -31.45 70.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.466 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.84 -37.12 27.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.576 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -60.44 -30.59 69.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.718 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.57 ' HA ' ' HB2' ' A' ' 37' ' ' ALA . 93.6 t -62.32 -17.6 18.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.711 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.515 HD22 ' N ' ' A' ' 34' ' ' LEU . 3.9 mm? -96.29 -0.75 49.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.618 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.49 ' O ' ' C ' ' A' ' 36' ' ' ILE . 58.1 m-85 -134.46 79.82 1.82 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.493 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.49 ' C ' ' O ' ' A' ' 35' ' ' PHE . 20.7 mm 32.22 64.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.278 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.607 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -42.4 162.42 0.16 Allowed Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.599 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.607 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 48.2 Cg_endo -71.07 132.78 21.86 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.884 2.389 . . . . 0.0 111.966 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -113.1 139.12 48.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.685 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.567 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -126.71 163.84 38.5 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.583 -179.811 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -41.48 132.34 3.59 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.817 2.345 . . . . 0.0 112.424 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.54 -33.92 5.99 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.26 -7.51 1.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.764 0.316 . . . . 0.0 110.652 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.7 t -62.11 -37.81 79.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.531 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 p -108.98 172.38 6.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.685 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.546 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.07 -41.77 75.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.512 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt -64.65 -43.7 92.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.52 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -57.69 -41.35 81.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.485 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 mt -71.58 -37.26 71.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.5 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -61.91 -43.63 98.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.524 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.7 mt -67.61 -43.83 79.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.582 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.4 mm -55.89 -52.99 43.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.554 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 95.6 m -55.18 -43.47 74.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.581 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 mp -61.85 -43.93 97.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.604 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.0 m -57.22 -45.01 84.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.565 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.506 HG12 HD11 ' A' ' 16' ' ' ILE . 39.5 t -66.81 -45.87 86.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.52 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.13 -33.34 74.34 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.64 ' CE2' HD11 ' A' ' 18' ' ' ILE . 65.5 t80 -71.89 -46.37 58.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.782 0.325 . . . . 0.0 110.502 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.49 -36.68 92.93 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.506 HD11 HG12 ' A' ' 12' ' ' VAL . 56.3 mt -71.16 -36.01 60.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.788 0.328 . . . . 0.0 110.545 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 tp -60.33 -43.84 96.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.538 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.64 HD11 ' CE2' ' A' ' 14' ' ' PHE . 45.4 mt -63.23 -49.42 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.474 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.613 ' O ' HG23 ' A' ' 23' ' ' VAL . 8.4 t80 -58.97 -45.2 91.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.49 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 p -58.31 -43.58 88.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.508 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.0 tt -59.54 -50.34 74.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.534 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.2 mm -58.11 -30.58 39.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.557 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 19' ' ' PHE . 95.1 t -74.07 -52.91 18.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.531 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 49.9 m -59.68 -32.14 70.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.565 179.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -66.07 -48.64 70.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.545 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 91.3 m -58.51 -36.22 73.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.562 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.6 mm -64.56 -43.58 96.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.551 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.427 HD22 ' N ' ' A' ' 28' ' ' ASN . 1.0 OUTLIER -61.92 -41.66 98.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.506 -179.868 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.769 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -65.51 -45.53 83.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.559 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -61.17 -26.84 67.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.567 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.69 -36.28 16.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.609 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -61.45 -29.04 69.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.624 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.769 HG23 ' O ' ' A' ' 29' ' ' ALA . 44.4 t -64.41 -16.12 18.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.617 -179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.586 ' N ' HD12 ' A' ' 34' ' ' LEU . 10.4 mp -94.25 0.93 55.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.551 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -133.97 -155.78 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.504 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.9 mm -77.63 61.35 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.538 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.528 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -41.54 159.98 0.16 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.546 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.528 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 43.7 Cg_endo -68.53 131.41 22.96 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.776 2.317 . . . . 0.0 112.169 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -139.58 152.91 47.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.526 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -58.57 154.74 32.97 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.584 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -68.6 93.82 0.43 Allowed 'Trans proline' 0 C--N 1.304 -1.79 0 C-N-CA 122.769 2.312 . . . . 0.0 112.086 179.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 56.72 13.19 7.62 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 53.87 20.51 2.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.847 0.356 . . . . 0.0 110.58 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.709 ' O ' HG12 ' A' ' 44' ' ' VAL . 42.3 t 50.03 27.37 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.539 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.2 m 40.57 41.34 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.546 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 13.7 t80 . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.955 -1.021 . . . . 0.0 110.56 179.898 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 p -51.67 -45.09 63.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.506 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -57.49 -46.97 83.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.7 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -56.84 -40.66 76.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.518 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.3 mt -63.77 -32.33 73.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.678 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -65.54 -48.14 73.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.605 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.462 ' N ' HD12 ' A' ' 7' ' ' LEU . 10.7 mp -66.87 -41.11 87.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.625 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.47 ' O ' HG23 ' A' ' 12' ' ' VAL . 2.8 mm -55.22 -51.6 53.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.74 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 63.9 m -63.52 -41.47 98.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.445 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.69 -40.78 84.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.712 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.7 m -63.66 -46.54 85.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.589 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 8' ' ' ILE . 56.4 t -56.76 -43.6 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.398 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.73 -37.23 94.09 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.834 ' CE2' HD11 ' A' ' 18' ' ' ILE . 62.3 t80 -64.75 -48.45 74.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.718 0.294 . . . . 0.0 110.515 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.56 -44.57 90.74 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 90.7 mt -63.17 -40.67 89.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.764 0.316 . . . . 0.0 110.436 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 tp -58.86 -41.44 87.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.517 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.834 HD11 ' CE2' ' A' ' 14' ' ' PHE . 90.5 mt -62.11 -54.25 36.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.649 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.608 ' O ' HG23 ' A' ' 23' ' ' VAL . 2.3 m-85 -54.57 -47.79 72.84 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.506 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.32 -45.89 69.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.463 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.49 -44.94 96.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.573 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.3 mm -62.65 -36.55 75.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.838 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 19' ' ' PHE . 57.5 t -69.82 -51.58 39.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.356 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.436 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 85.2 m -61.29 -31.07 70.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.205 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' A' ' 25' ' ' TYR . 26.7 t80 -72.1 -46.68 55.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.574 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 85.4 m -55.24 -35.39 64.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.509 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 57.0 mt -71.62 -50.34 40.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.531 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.436 ' OD1' ' O ' ' A' ' 24' ' ' THR . 29.4 m120 -57.65 -30.93 65.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.45 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.7 -48.04 64.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.576 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -53.22 -43.24 67.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.65 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.432 ' HA ' HD12 ' A' ' 34' ' ' LEU . . . -62.15 -49.41 75.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.723 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.559 ' HA ' ' HB2' ' A' ' 37' ' ' ALA . 5.9 m-20 -54.68 -31.55 57.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.592 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 53.2 t -85.2 -44.6 17.3 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.024 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 31' ' ' ALA . 12.0 mt -46.62 -34.43 5.01 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.754 -179.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.581 ' O ' ' C ' ' A' ' 36' ' ' ILE . 95.3 m-85 -135.51 74.35 1.51 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.348 178.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.581 ' C ' ' O ' ' A' ' 35' ' ' PHE . 23.0 mm -0.97 72.34 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 O-C-N 124.49 1.119 . . . . 0.0 111.358 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.571 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -46.46 161.3 0.28 Allowed Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.217 -178.429 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.571 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 41.2 Cg_endo -69.94 152.24 68.31 Favored 'Trans proline' 0 C--N 1.307 -1.608 0 C-N-CA 122.726 2.284 . . . . 0.0 112.097 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -97.4 140.15 32.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.581 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -86.57 151.56 53.23 Favored Pre-proline 0 N--CA 1.451 -0.389 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.634 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -68.24 99.91 0.62 Allowed 'Trans proline' 0 C--N 1.309 -1.523 0 C-N-CA 122.721 2.281 . . . . 0.0 112.073 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 95.55 12.32 53.96 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' A' ' 45' ' ' SER . . . -41.2 104.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.812 0.339 . . . . 0.0 110.672 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 45' ' ' SER . 95.8 t 51.52 -87.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.539 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 43' ' ' ALA . 0.9 OUTLIER 65.95 177.94 0.21 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.659 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.509 179.947 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.45 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -46.89 -37.36 8.74 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.327 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.57 -39.89 50.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.543 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -70.51 -46.62 63.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.745 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.544 HD22 ' N ' ' A' ' 5' ' ' LEU . 3.8 mm? -58.35 -33.42 69.53 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.701 -179.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.18 -47.76 64.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.713 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.5 mt -59.87 -40.01 87.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.553 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.6 mm -64.04 -45.4 96.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.644 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.0 m -61.94 -42.38 99.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.456 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.1 tp -62.18 -42.59 99.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.505 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.2 m -58.64 -47.07 85.65 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.611 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.88 -39.73 86.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.659 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.74 -44.21 97.16 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.776 ' CE2' HD11 ' A' ' 18' ' ' ILE . 59.6 t80 -57.31 -51.5 69.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.909 0.385 . . . . 0.0 110.526 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.41 -38.83 88.99 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 69.4 mt -66.59 -50.6 65.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.673 0.273 . . . . 0.0 110.759 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 tp -53.84 -35.95 62.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.463 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.776 HD11 ' CE2' ' A' ' 14' ' ' PHE . 73.7 mt -64.0 -54.73 27.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.358 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.718 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -54.39 -46.1 73.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.485 179.505 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.33 -45.1 72.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.632 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 42.8 tp -58.71 -53.57 56.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.296 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.6 mt -55.96 -34.03 36.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.347 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 19' ' ' PHE . 75.1 t -69.91 -49.11 59.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.517 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.7 m -63.44 -30.67 71.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.472 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -70.55 -44.61 67.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.356 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 71.4 m -59.69 -39.88 86.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.45 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.9 mt -65.95 -46.58 87.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.521 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.424 ' O ' ' OD1' ' A' ' 32' ' ' ASP . 15.5 m120 -50.78 -40.95 56.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.602 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.659 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -64.51 -50.78 66.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.496 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -54.16 -31.82 53.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.557 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.19 -47.39 11.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.498 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' A' ' 28' ' ' ASN . 14.0 m-20 -51.99 -27.58 13.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.576 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 29' ' ' ALA . 91.6 t -63.51 -10.87 7.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.717 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.542 ' N ' HD12 ' A' ' 34' ' ' LEU . 10.6 mp -105.98 6.9 31.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.757 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.462 ' O ' ' C ' ' A' ' 36' ' ' ILE . 66.0 m-85 -134.32 78.81 1.77 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.734 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.462 ' C ' ' O ' ' A' ' 35' ' ' PHE . 13.1 mm 32.91 61.13 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.649 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.603 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -40.54 161.89 0.1 Allowed Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.418 -179.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.603 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 34.7 Cg_endo -67.96 160.51 48.23 Favored 'Trans proline' 0 C--N 1.3 -2.0 0 C-N-CA 122.905 2.404 . . . . 0.0 112.129 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -137.92 156.66 47.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.52 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.05 162.48 19.71 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.64 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -41.33 122.7 1.8 Allowed 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 123.013 2.476 . . . . 0.0 112.096 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.503 ' O ' ' N ' ' A' ' 44' ' ' VAL . . . 108.07 -39.22 2.97 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 47.89 -89.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.589 0.233 . . . . 0.0 110.378 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.503 ' N ' ' O ' ' A' ' 42' ' ' GLY . 41.4 t -120.1 128.89 75.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.646 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.96 -45.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.463 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.62 -179.799 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -57.84 -39.32 77.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.58 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -62.36 -45.07 94.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.603 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -56.68 -44.23 81.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.54 -179.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.2 mt -66.31 -46.04 78.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.621 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -56.29 -39.26 72.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.55 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.5 mt -67.87 -41.64 82.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.569 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.763 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.7 mm -58.36 -47.5 87.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.56 179.268 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 65.8 m -54.53 -49.32 70.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.574 179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.6 mt -60.81 -43.56 98.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.623 -179.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.5 m -62.19 -42.53 99.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.642 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 8' ' ' ILE . 52.1 t -60.06 -48.88 86.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.539 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.09 -46.86 93.13 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.709 ' CE2' HD11 ' A' ' 18' ' ' ILE . 78.6 t80 -57.91 -45.75 86.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.787 0.327 . . . . 0.0 110.61 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.8 -37.82 94.26 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.844 -0.903 . . . . 0.0 110.844 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 76.6 mt -71.29 -41.04 74.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.748 0.308 . . . . 0.0 110.583 -178.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 mp -56.53 -40.33 74.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.601 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.709 HD11 ' CE2' ' A' ' 14' ' ' PHE . 76.3 mt -63.55 -54.73 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.554 -179.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.523 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.5 OUTLIER -55.48 -47.0 76.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.558 179.702 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.2 m -59.74 -38.33 81.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.505 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.4 tt -62.05 -53.96 48.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.635 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 81.6 mt -52.46 -32.15 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.575 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 19' ' ' PHE . 99.2 t -72.17 -51.71 28.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.589 -179.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.9 m -62.29 -32.13 72.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.548 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -66.1 -42.76 88.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.577 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 90.8 m -62.22 -41.87 98.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.645 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 51.9 mt -65.05 -42.27 94.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.556 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -64.46 -48.63 74.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.618 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.28 -41.5 84.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.554 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt -57.89 -48.82 78.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.56 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.512 ' HA ' HD12 ' A' ' 34' ' ' LEU . . . -62.96 -39.52 94.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.611 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -57.35 -43.6 83.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.595 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 73.5 t -75.38 -43.72 42.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.616 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.512 HD12 ' HA ' ' A' ' 31' ' ' ALA . 17.6 mt -46.84 -35.64 6.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.538 -179.244 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.679 ' O ' ' C ' ' A' ' 36' ' ' ILE . 61.2 m-85 -125.68 73.54 1.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.471 179.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.679 ' C ' ' O ' ' A' ' 35' ' ' PHE . 17.1 mm -0.7 72.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.551 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.641 ' N ' ' O ' ' A' ' 35' ' ' PHE . . . -39.09 163.0 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.493 178.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.61 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 74.2 Cg_exo -39.73 136.38 1.25 Allowed 'Trans proline' 0 C--N 1.306 -1.671 0 C-N-CA 122.793 2.328 . . . . 0.0 112.165 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -101.62 130.28 47.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.565 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.627 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -123.99 158.95 58.62 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.514 179.86 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.429 ' O ' ' N ' ' A' ' 43' ' ' ALA . 74.2 Cg_exo -39.99 94.94 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.812 2.342 . . . . 0.0 112.159 -179.315 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.802 ' O ' HG23 ' A' ' 44' ' ' VAL . . . 43.83 21.85 0.24 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 41' ' ' PRO . . . 45.53 20.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.811 0.339 . . . . 0.0 110.516 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 42' ' ' GLY . 84.4 t -119.32 -36.84 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.535 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.96 -178.67 4.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.548 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.221 -0.414 0 CA-C-O 117.93 -1.034 . . . . 0.0 110.524 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.43 -37.66 87.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.508 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -42.36 99.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.578 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -63.2 -43.31 98.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.588 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.416 ' HA ' HD12 ' A' ' 8' ' ' ILE . 7.2 mt -62.4 -42.33 99.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.596 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -62.8 -47.8 81.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.6 -179.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.3 mt -58.17 -42.35 85.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.527 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 5' ' ' LEU . 44.9 mt -57.18 -50.58 76.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.593 179.49 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.9 m -51.81 -46.55 64.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.47 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 mp -66.95 -42.09 85.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.584 -179.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.8 m -53.86 -46.68 71.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.555 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.6 t -65.95 -44.86 92.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.543 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.35 -43.34 57.61 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.785 ' CE2' HD11 ' A' ' 18' ' ' ILE . 62.1 t80 -64.07 -49.29 72.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.816 0.341 . . . . 0.0 110.558 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.13 -40.56 93.81 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.7 mm -66.57 -43.31 90.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.751 0.31 . . . . 0.0 110.519 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.86 -39.1 80.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.519 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.785 HD11 ' CE2' ' A' ' 14' ' ' PHE . 86.8 mt -62.18 -53.76 43.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.568 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.672 ' O ' HG23 ' A' ' 23' ' ' VAL . 2.1 m-85 -58.48 -43.15 88.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.57 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.05 -45.99 82.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.593 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 57.6 tp -63.74 -50.91 67.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.629 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 68.9 mt -52.91 -33.0 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.543 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 19' ' ' PHE . 98.0 t -71.99 -52.79 22.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.609 -179.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 42.1 m -61.9 -31.67 71.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.544 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -64.7 -50.72 65.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.551 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 75.0 m -58.58 -38.5 78.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.586 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.2 mm -61.6 -49.34 84.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.568 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -61.13 -39.42 89.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.526 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.12 -48.68 80.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.577 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -53.47 -47.85 69.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.603 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.4 -42.26 92.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.618 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.485 ' HA ' ' HB2' ' A' ' 37' ' ' ALA . 41.9 m-20 -57.61 -33.73 68.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.633 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 79.0 t -83.15 -46.91 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.585 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.0 mt -46.31 -33.14 3.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.478 -179.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.703 ' O ' ' C ' ' A' ' 36' ' ' ILE . 80.2 m-85 -135.57 71.52 1.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.557 179.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.703 ' C ' ' O ' ' A' ' 35' ' ' PHE . 17.8 mm -1.39 73.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.483 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.633 ' N ' ' O ' ' A' ' 35' ' ' PHE . . . -40.94 159.05 0.17 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.611 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.531 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 29.3 Cg_endo -64.22 163.13 27.23 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.832 2.355 . . . . 0.0 112.019 -179.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 72.5 mtm180 -83.26 157.07 22.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.637 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.671 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -103.37 158.06 32.57 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.971 0.415 . . . . 0.0 110.523 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -69.68 23.44 0.17 Allowed 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.801 2.334 . . . . 0.0 112.125 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.491 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . 88.33 48.87 3.88 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.12 0.86 1.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 110.523 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.413 ' H ' ' C ' ' A' ' 42' ' ' GLY . 19.8 t -62.24 -21.09 25.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.542 179.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 71.4 p -67.8 -17.2 64.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.62 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 117.942 -1.028 . . . . 0.0 110.631 -179.684 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.0 p -62.28 -47.63 83.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.491 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -54.03 -37.6 64.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.562 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -62.22 -52.19 64.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.552 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.7 mt -60.95 -35.14 75.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.592 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -58.98 -42.8 90.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.525 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.2 mt -63.28 -49.09 75.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.591 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.3 mm -57.83 -40.92 78.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.538 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 54.4 m -59.2 -45.62 90.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.604 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.1 mp -64.55 -37.13 86.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.602 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.1 m -60.94 -50.44 73.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.58 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.02 -43.25 98.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.617 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.2 -43.76 96.92 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.624 ' CE2' HD11 ' A' ' 18' ' ' ILE . 77.4 t80 -64.55 -38.14 90.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.779 0.323 . . . . 0.0 110.533 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.85 -44.19 98.35 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 59.4 mt -65.75 -39.57 85.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.777 0.322 . . . . 0.0 110.599 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 tp -56.48 -38.56 71.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.589 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.624 HD11 ' CE2' ' A' ' 14' ' ' PHE . 69.6 mt -66.11 -51.78 55.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.576 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.725 ' O ' HG23 ' A' ' 23' ' ' VAL . 2.9 m-85 -58.54 -40.62 83.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.593 179.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.1 m -60.91 -42.59 98.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.634 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 42.8 tp -60.6 -48.55 81.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.586 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.9 mt -58.55 -34.79 52.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.576 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 19' ' ' PHE . 58.8 t -69.59 -51.28 43.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.515 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 85.3 m -61.64 -30.91 71.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.551 179.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -66.78 -49.12 66.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.487 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 95.1 m -54.31 -42.68 70.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.525 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.1 mt -65.19 -50.67 72.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.576 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -48.11 -39.07 19.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.488 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.807 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -69.62 -50.44 44.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.578 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 71.6 mttt -60.29 -18.74 51.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.556 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.31 -47.61 9.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.547 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -63.79 -17.82 63.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.617 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.807 HG23 ' O ' ' A' ' 29' ' ' ALA . 93.1 t -73.12 -11.15 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.557 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.565 HD22 ' N ' ' A' ' 34' ' ' LEU . 3.9 mm? -80.79 -1.82 44.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.613 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.473 ' C ' HD12 ' A' ' 36' ' ' ILE . 65.9 m-85 -133.43 -157.69 0.83 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.618 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.871 ' N ' HD12 ' A' ' 36' ' ' ILE . 2.5 mp -102.58 28.83 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.592 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.464 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -38.77 157.57 0.11 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.566 179.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.464 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 37.6 Cg_endo -67.38 174.15 7.67 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.888 2.392 . . . . 0.0 112.158 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 48.3 mtm-85 -74.33 160.38 31.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.524 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.543 ' O ' ' N ' ' A' ' 42' ' ' GLY . 0.4 OUTLIER -45.27 155.37 0.44 Allowed Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.566 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -39.24 -19.72 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.792 2.328 . . . . 0.0 112.138 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.624 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . 55.25 12.2 4.04 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 42' ' ' GLY . . . 76.56 22.03 1.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 110.598 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.3 t -104.17 117.24 49.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.551 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.2 m -72.06 -22.08 61.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.566 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.081 -0.962 . . . . 0.0 110.615 179.951 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.414 ' C ' ' N ' ' A' ' 3' ' ' LYS . . . . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m 45.33 21.22 0.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.389 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.414 ' N ' ' C ' ' A' ' 1' ' ' ALA . 9.0 tttp -61.47 -44.71 96.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.583 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -59.44 -40.62 87.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.669 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 mt -70.79 -40.42 72.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.496 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -61.91 -43.37 98.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.334 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 mt -62.85 -41.62 99.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.537 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.411 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.1 mm -62.97 -51.26 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.823 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 87.2 m -52.7 -39.57 62.12 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.364 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 tp -70.46 -52.17 24.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.787 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.0 m -49.09 -42.4 38.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.462 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 8' ' ' ILE . 58.6 t -69.01 -56.23 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.71 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -51.78 -41.21 50.56 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.548 ' CE2' HD11 ' A' ' 18' ' ' ILE . 67.3 t80 -57.98 -53.29 59.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.761 0.315 . . . . 0.0 110.744 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.12 -33.61 87.71 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.1 mm -66.98 -47.65 81.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.755 0.312 . . . . 0.0 110.678 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.9 mt -57.98 -42.41 85.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.42 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.548 HD11 ' CE2' ' A' ' 14' ' ' PHE . 24.2 mt -60.81 -53.01 54.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.661 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.573 ' O ' HG23 ' A' ' 23' ' ' VAL . 1.2 t80 -58.85 -46.89 86.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.512 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.5 t -54.06 -38.94 65.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.604 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.1 -47.39 58.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.52 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 mm -59.23 -28.73 40.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.763 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 19' ' ' PHE . 74.4 t -74.78 -52.25 19.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.968 0.413 . . . . 0.0 110.615 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 42.5 m -62.05 -31.77 72.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.965 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -67.49 -43.58 80.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.482 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 98.4 m -61.67 -43.01 99.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.563 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.0 mt -61.2 -44.5 98.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.557 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.432 ' O ' ' OD1' ' A' ' 32' ' ' ASP . 95.8 m-20 -62.55 -42.92 99.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.567 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.5 -43.38 97.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.576 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -59.48 -41.99 91.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.716 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.54 ' HA ' HD12 ' A' ' 34' ' ' LEU . . . -66.8 -45.94 76.8 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.835 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.439 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 1.1 m-20 -51.73 -41.71 61.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.663 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.7 t -73.63 -44.81 52.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.833 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.54 HD12 ' HA ' ' A' ' 31' ' ' ALA . 11.2 mt -47.43 -31.95 4.6 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.631 -179.52 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.567 ' O ' ' C ' ' A' ' 36' ' ' ILE . 54.8 m-85 -126.7 74.0 1.44 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.392 179.254 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.567 ' C ' ' O ' ' A' ' 35' ' ' PHE . 25.2 mm 4.69 67.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 O-C-N 124.53 1.144 . . . . 0.0 111.319 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.55 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -37.82 160.44 0.07 OUTLIER Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.569 -179.137 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.55 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 37.1 Cg_endo -66.16 -176.74 0.68 Allowed 'Trans proline' 0 C--N 1.306 -1.661 0 C-N-CA 122.63 2.22 . . . . 0.0 112.058 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -133.79 137.32 45.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.283 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.45 164.82 13.88 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.693 -179.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -42.99 119.41 1.56 Allowed 'Trans proline' 0 C--N 1.31 -1.453 0 C-N-CA 122.723 2.282 . . . . 0.0 112.195 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 52.03 41.08 52.16 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.77 118.73 3.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.8 0.333 . . . . 0.0 110.598 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 20.0 t -68.35 99.85 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.586 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -148.22 3.13 0.68 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.587 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.483 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.2 m -58.85 -50.35 74.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.706 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.459 ' CG ' ' N ' ' A' ' 4' ' ' GLU . 9.0 ptmm? -53.67 -48.86 69.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.5 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.459 ' N ' ' CG ' ' A' ' 3' ' ' LYS . 35.4 tt0 -57.63 -50.61 72.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.372 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.9 mt -56.88 -40.96 77.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.583 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -64.01 -50.08 69.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.607 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mt -53.99 -42.62 69.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.544 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.9 mm -60.04 -47.17 92.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.666 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.6 m -56.49 -41.76 77.15 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.554 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 10' ' ' LEU . 1.4 mm? -60.33 -44.96 95.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.74 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 60.1 m -60.12 -47.1 87.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 93.9 t -63.05 -44.15 99.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.654 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.73 -42.44 99.41 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.802 ' CE2' HD11 ' A' ' 18' ' ' ILE . 59.0 t80 -61.73 -46.32 90.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.793 0.33 . . . . 0.0 110.542 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.461 ' HA2' HD12 ' A' ' 18' ' ' ILE . . . -61.17 -43.52 99.3 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.3 mm -62.04 -46.22 96.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.798 0.332 . . . . 0.0 110.61 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mt -56.07 -39.06 71.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.502 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.802 HD11 ' CE2' ' A' ' 14' ' ' PHE . 67.9 mt -62.66 -53.5 46.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.278 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.507 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -61.52 -38.28 86.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.413 179.936 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.4 t -58.23 -44.85 88.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.576 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.405 ' HA ' HD12 ' A' ' 21' ' ' LEU . 46.7 tp -64.63 -50.38 67.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.399 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 85.5 mt -52.45 -34.39 18.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.3 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 19' ' ' PHE . 67.4 t -68.99 -51.02 48.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.361 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.6 m -62.21 -28.92 70.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.266 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -66.89 -45.16 78.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.349 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 85.1 m -59.24 -40.6 86.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.596 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.6 mm -67.71 -48.4 76.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.6 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -49.51 -39.86 35.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.554 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.609 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -65.75 -51.79 56.35 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.578 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -57.08 -21.61 33.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.61 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.99 -43.88 13.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.603 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -64.01 -17.57 63.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.616 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 29' ' ' ALA . 90.0 t -73.32 -3.16 3.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.811 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.544 ' N ' HD12 ' A' ' 34' ' ' LEU . 10.5 mp -97.32 2.1 50.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.641 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -126.53 -159.14 0.9 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.554 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.867 ' N ' HD12 ' A' ' 36' ' ' ILE . 2.6 mp -100.06 28.04 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.738 -179.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.553 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -53.27 160.66 1.63 Allowed Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.672 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.553 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 41.3 Cg_endo -69.5 -171.76 0.48 Allowed 'Trans proline' 0 C--N 1.303 -1.862 0 C-N-CA 122.778 2.319 . . . . 0.0 112.294 179.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -131.45 139.46 49.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.552 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.489 ' CD ' ' N ' ' A' ' 40' ' ' GLU . 0.2 OUTLIER -115.29 162.18 25.85 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.611 -179.769 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_exo -40.84 -22.66 0.12 Allowed 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.954 2.436 . . . . 0.0 112.412 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 40' ' ' GLU . . . 111.33 18.86 7.85 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 59.19 105.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.763 0.316 . . . . 0.0 110.737 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 65.2 t -90.39 -56.68 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.506 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.7 -27.26 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.487 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 2.7 t80 . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.965 -1.016 . . . . 0.0 110.455 -179.976 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -64.57 -38.43 90.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.738 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -63.99 -37.93 89.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.741 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -67.36 -42.51 83.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.629 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.6 mt -62.73 -40.88 98.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.51 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -65.07 -38.47 90.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.73 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.9 mt -63.62 -43.8 95.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.726 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 82.5 mt -67.14 -38.0 80.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.586 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 85.9 m -69.42 -38.69 77.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.756 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mt -61.14 -44.6 97.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.488 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.3 m -61.34 -45.9 92.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.527 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.3 t -58.6 -49.64 81.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.521 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.22 -40.47 98.62 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -63.3 -52.03 63.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.651 0.263 . . . . 0.0 110.529 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.09 -38.29 55.75 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.9 mt -69.13 -40.96 81.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.767 0.318 . . . . 0.0 110.737 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 tp -56.38 -39.8 73.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.592 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.1 mm -66.52 -51.33 58.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.023 0.44 . . . . 0.0 110.321 -179.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.633 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -58.04 -46.84 84.7 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.362 179.912 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.0 m -56.52 -39.34 73.19 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.279 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.694 HD13 ' C ' ' A' ' 21' ' ' LEU . 3.1 tm? -61.43 -54.83 38.39 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.171 -0.611 . . . . 0.0 110.497 -179.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 54.0 mt -54.93 -29.95 22.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.768 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 19' ' ' PHE . 86.1 t -75.27 -51.32 21.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.54 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 84.1 m -61.09 -31.24 70.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.232 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -69.12 -50.53 47.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.711 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 76.0 m -54.94 -39.94 69.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.42 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 65.8 mt -64.42 -49.03 82.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.64 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -54.13 -43.73 70.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.547 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.72 -47.96 82.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.52 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.9 mttp -64.39 -41.53 96.62 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.629 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.529 ' HA ' HD12 ' A' ' 34' ' ' LEU . . . -62.81 -41.99 99.53 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.51 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.515 ' HA ' ' HB3' ' A' ' 37' ' ' ALA . 84.9 m-20 -58.54 -41.7 86.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.749 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 25.2 t -74.44 -43.57 48.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' A' ' 31' ' ' ALA . 10.6 mt -46.45 -37.08 7.27 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.439 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.59 ' O ' ' N ' ' A' ' 37' ' ' ALA . 80.7 m-85 -131.1 74.48 1.6 Allowed 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.668 178.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.542 ' C ' ' O ' ' A' ' 35' ' ' PHE . 26.3 mm 1.36 65.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 O-C-N 124.79 1.306 . . . . 0.0 111.348 179.241 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.59 ' N ' ' O ' ' A' ' 35' ' ' PHE . . . -109.94 162.43 20.39 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.833 -178.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.579 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 74.2 Cg_exo -39.65 137.46 1.05 Allowed 'Trans proline' 0 C--N 1.309 -1.522 0 C-N-CA 122.706 2.271 . . . . 0.0 112.02 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.1 mtt180 -104.21 160.96 14.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.543 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -80.26 151.04 72.07 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.779 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_exo -37.68 146.77 0.1 Allowed 'Trans proline' 0 C--N 1.312 -1.355 0 C-N-CA 122.699 2.266 . . . . 0.0 112.333 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.62 -49.98 2.33 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 55.55 -109.68 0.51 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.839 0.352 . . . . 0.0 110.544 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.472 ' O ' ' CB ' ' A' ' 45' ' ' SER . 39.2 t -58.64 -21.55 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.646 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 0.7 OUTLIER 79.19 31.35 0.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.502 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.542 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -42.28 153.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.581 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.4 mmtm -52.8 -47.47 67.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.587 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -59.5 -46.6 88.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.524 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.501 HD22 ' N ' ' A' ' 5' ' ' LEU . 4.1 mm? -61.29 -39.49 90.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.657 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.75 -42.87 97.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.647 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.6 mt -59.19 -47.62 84.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.549 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.744 ' O ' HG23 ' A' ' 12' ' ' VAL . 11.5 mt -59.68 -38.43 75.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.567 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.9 m -63.39 -46.46 86.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.634 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 tt -60.72 -35.38 76.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.689 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.1 m -67.69 -41.66 83.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.516 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 8' ' ' ILE . 26.4 t -64.26 -37.18 79.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.547 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.58 -46.06 64.02 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.747 ' CE2' HD11 ' A' ' 18' ' ' ILE . 66.1 t80 -59.88 -43.09 94.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.815 0.341 . . . . 0.0 110.608 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.38 -40.45 99.07 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.7 mt -67.08 -43.71 88.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.691 0.281 . . . . 0.0 110.554 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 tp -56.39 -41.62 76.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.256 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.747 HD11 ' CE2' ' A' ' 14' ' ' PHE . 71.9 mt -61.13 -53.75 44.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.526 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.629 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -53.18 -49.41 66.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.531 179.781 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.8 p -59.23 -37.9 78.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.744 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 53.3 tp -66.97 -48.63 67.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.636 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.436 ' O ' ' SG ' ' A' ' 26' ' ' CYS . 56.5 mt -58.51 -26.86 32.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.511 -179.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 19' ' ' PHE . 91.6 t -74.09 -52.23 21.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.522 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.4 m -65.98 -31.89 73.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.48 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -65.94 -51.07 61.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.542 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.436 ' SG ' ' O ' ' A' ' 22' ' ' ILE . 76.9 m -57.67 -45.73 85.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.479 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.1 mm -58.78 -48.77 85.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.677 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.41 HD22 ' N ' ' A' ' 28' ' ' ASN . 1.2 m120 -58.88 -48.16 82.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.596 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.77 -44.2 77.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.547 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.1 mmtm -60.68 -45.97 92.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.591 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.461 ' HA ' HD12 ' A' ' 34' ' ' LEU . . . -65.43 -41.16 93.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.709 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.432 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 9.0 m-20 -53.69 -48.81 69.17 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.705 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.2 t -68.26 -44.99 83.53 Favored 'Isoleucine or valine' 0 C--O 1.241 0.634 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.156 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 31' ' ' ALA . 11.7 mt -46.93 -35.15 6.17 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.987 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.571 ' O ' ' C ' ' A' ' 36' ' ' ILE . 65.9 m-85 -121.49 73.45 1.06 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.456 178.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.571 ' C ' ' O ' ' A' ' 35' ' ' PHE . 19.6 mm 6.58 66.45 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 O-C-N 124.583 1.177 . . . . 0.0 110.97 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.55 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -43.29 161.14 0.2 Allowed Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.323 -178.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.55 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 72.7 Cg_exo -39.12 136.56 0.81 Allowed 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.824 2.349 . . . . 0.0 112.196 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 77.8 mtm-85 -88.57 133.64 34.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.417 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.467 ' O ' ' O ' ' A' ' 41' ' ' PRO . 36.3 mm-40 -109.78 108.61 59.48 Favored Pre-proline 0 CA--C 1.538 0.481 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.363 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.467 ' O ' ' O ' ' A' ' 40' ' ' GLU . 52.0 Cg_exo -49.85 -165.93 0.0 OUTLIER 'Trans proline' 0 C--N 1.314 -1.243 0 C-N-CA 122.771 2.314 . . . . 0.0 112.277 179.167 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.474 ' O ' ' HB2' ' A' ' 43' ' ' ALA . . . 75.51 -57.8 2.92 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.474 ' HB2' ' O ' ' A' ' 42' ' ' GLY . . . 174.75 17.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.989 0.423 . . . . 0.0 110.567 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 98.3 t 53.31 88.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.605 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.8 m 46.13 -172.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.514 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.426 ' CD1' ' N ' ' A' ' 46' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.401 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.509 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.5 p -46.95 -36.59 7.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.511 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.404 ' H ' ' HG2' ' A' ' 3' ' ' LYS . 4.8 ptmm? -58.09 -38.43 76.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.675 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -68.6 -46.21 69.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.463 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.533 HD22 ' N ' ' A' ' 5' ' ' LEU . 4.1 mm? -63.13 -29.91 71.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.691 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -68.92 -41.08 78.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.382 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.4 mt -61.71 -41.0 97.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.461 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.696 ' O ' HG23 ' A' ' 12' ' ' VAL . 49.9 mm -64.44 -41.82 93.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.564 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 34.5 m -64.3 -44.9 90.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.571 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 mt -55.0 -40.63 70.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.548 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.8 m -68.85 -45.47 71.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.567 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 8' ' ' ILE . 60.9 t -54.39 -41.67 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.548 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.97 -46.22 82.84 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.76 ' CE2' HD11 ' A' ' 18' ' ' ILE . 79.4 t80 -58.85 -43.32 90.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.9 0.381 . . . . 0.0 110.537 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.02 -45.87 93.29 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 74.1 mt -63.57 -39.78 86.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.918 0.389 . . . . 0.0 110.409 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.95 -40.54 80.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.621 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.76 HD11 ' CE2' ' A' ' 14' ' ' PHE . 81.8 mt -62.59 -51.81 67.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.416 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.827 ' O ' HG23 ' A' ' 23' ' ' VAL . 39.3 t80 -55.78 -44.75 78.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.573 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.17 -43.29 99.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.592 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.7 tp -56.25 -52.77 63.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.297 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 73.0 mt -56.95 -35.93 48.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.83 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' ' 19' ' ' PHE . 61.1 t -64.72 -51.79 62.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.631 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.491 ' HA ' HD12 ' A' ' 27' ' ' ILE . 78.9 m -65.62 -31.05 71.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.276 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -60.76 -41.24 95.09 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.606 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.7 m -70.42 -44.58 67.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.623 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.491 HD12 ' HA ' ' A' ' 24' ' ' THR . 96.5 mt -50.68 -43.08 23.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.482 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -67.3 -45.99 74.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.487 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.31 -38.23 73.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.634 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -73.53 -46.26 48.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.71 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.66 -35.93 44.22 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.53 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -56.27 -18.77 11.53 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.503 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.598 ' C ' HD12 ' A' ' 34' ' ' LEU . 59.5 t -94.14 -3.91 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.778 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.598 HD12 ' C ' ' A' ' 33' ' ' VAL . 10.4 mp -108.88 -11.0 15.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.411 ' O ' ' C ' ' A' ' 36' ' ' ILE . 8.3 m-85 -105.06 78.58 1.41 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.124 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.845 ' N ' HD12 ' A' ' 36' ' ' ILE . 2.0 mp 36.97 44.21 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.257 0.551 . . . . 0.0 110.473 178.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.621 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -41.04 163.94 0.09 OUTLIER Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.544 -179.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.621 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 54.2 Cg_endo -73.03 -93.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.405 0 C-N-CA 122.813 2.342 . . . . 0.0 112.13 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -126.48 159.65 32.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.778 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.498 ' C ' ' H ' ' A' ' 42' ' ' GLY . 2.3 mp0 -51.12 155.74 2.09 Favored Pre-proline 0 N--CA 1.453 -0.32 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.644 -179.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -68.29 29.0 0.14 Allowed 'Trans proline' 0 C--N 1.309 -1.53 0 C-N-CA 122.711 2.274 . . . . 0.0 112.153 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . 85.41 50.51 4.01 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.34 134.84 40.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.735 0.302 . . . . 0.0 110.509 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.2 t -110.86 117.29 54.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.603 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.8 p -98.84 63.76 1.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.494 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.416 ' OXT' ' CG ' ' A' ' 46' ' ' TYR . 40.9 t80 . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.557 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 t -59.17 -9.61 2.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.579 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -54.94 -37.25 66.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.558 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -64.14 -49.01 73.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.538 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.547 ' N ' HD12 ' A' ' 5' ' ' LEU . 9.8 mp -56.57 -36.49 69.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.549 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -61.83 -49.32 76.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.533 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.2 mt -62.47 -41.0 98.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.556 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 75.6 mt -60.36 -49.7 83.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.489 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 89.8 m -59.88 -41.95 92.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.594 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.04 -46.11 78.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.55 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.1 m -59.84 -47.84 84.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.496 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 82.5 t -53.91 -48.74 62.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.513 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.14 -47.44 88.24 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.815 ' CE2' HD11 ' A' ' 18' ' ' ILE . 56.3 t80 -57.74 -43.98 85.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.781 0.324 . . . . 0.0 110.597 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.98 -41.12 97.76 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 69.2 mt -67.19 -43.65 88.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.769 0.319 . . . . 0.0 110.56 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 mp -57.0 -44.1 82.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.59 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.815 HD11 ' CE2' ' A' ' 14' ' ' PHE . 62.2 mt -57.2 -54.38 31.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.597 179.497 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.653 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -58.45 -39.59 80.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.494 -179.71 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.3 m -63.84 -38.24 90.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.573 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.51 -47.81 84.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.532 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 36.3 mt -63.04 -30.13 48.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.594 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 19' ' ' PHE . 92.7 t -70.75 -51.84 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.463 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.8 m -63.85 -30.69 71.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.538 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -66.02 -44.89 83.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.557 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 93.7 m -58.91 -45.61 89.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.6 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.2 mt -60.74 -47.69 92.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.541 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -56.55 -41.34 76.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.587 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.21 -45.43 94.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.565 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.0 mttt -57.39 -44.85 84.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.51 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.605 ' HA ' HD12 ' A' ' 34' ' ' LEU . . . -60.26 -48.75 80.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.574 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -51.98 -42.13 62.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.557 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.6 t -76.01 -43.61 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.585 -178.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.605 HD12 ' HA ' ' A' ' 31' ' ' ALA . 11.7 mt -44.76 -34.59 2.33 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.606 -178.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.703 ' O ' ' C ' ' A' ' 36' ' ' ILE . 86.9 m-85 -131.59 73.24 1.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.572 179.143 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.703 ' C ' ' O ' ' A' ' 35' ' ' PHE . 33.2 mm 3.24 67.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.505 179.2 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.667 ' N ' ' O ' ' A' ' 35' ' ' PHE . . . -110.44 156.37 40.48 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.516 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.44 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 22.5 Cg_endo -62.87 -169.49 0.09 OUTLIER 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.806 2.337 . . . . 0.0 112.139 -179.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.6 ptp85 -134.88 161.59 34.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.571 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -44.2 155.79 0.34 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.537 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 42' ' ' GLY . 70.5 Cg_exo -41.37 94.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.85 2.367 . . . . 0.0 112.063 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 41' ' ' PRO . . . 38.61 45.97 2.05 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.09 -47.53 68.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.72 0.295 . . . . 0.0 110.576 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.1 t -64.38 -27.52 42.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.563 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.69 -51.0 15.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.605 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.553 -179.951 . . . . . . . . 0 0 . 1 stop_ save_