data_2n7r_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 2n7r _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 ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.777 0.322 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 68.1 mt -55.7 -45.78 79.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.606 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.8 m -63.89 -43.53 95.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.406 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.44 -47.69 81.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.466 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.9 m -58.27 -50.49 73.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.648 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.7 t -61.09 -32.04 51.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.91 -40.8 51.12 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -72.32 -31.41 65.65 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.33 -36.36 63.33 Favored Glycine 0 CA--C 1.52 0.358 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.438 ' O ' ' OG ' ' A' ' 20' ' ' SER . 44.6 mt -70.45 -36.02 64.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.307 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 mp -65.26 -41.75 93.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.629 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 78.5 mt -62.53 -41.27 91.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.412 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -62.68 -44.24 96.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.406 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -66.49 -41.35 89.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.38 -40.27 77.81 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 120.882 0.372 . . . . 0.0 110.551 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.443 ' O ' ' SG ' ' A' ' 26' ' ' CYS . 30.9 mt -69.64 -34.6 62.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.677 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.5 t -70.81 -50.29 44.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.457 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 88.1 m -63.22 -34.95 78.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.643 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -63.34 -48.63 77.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.507 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.443 ' SG ' ' O ' ' A' ' 22' ' ' ILE . 79.6 m -58.45 -36.52 73.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.273 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.596 -179.908 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.927 0.394 . . . . 0.0 110.6 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 24.8 mt -65.32 -36.3 77.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.664 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 59.2 m -62.98 -47.12 84.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.506 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 tp -59.4 -37.99 79.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.517 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.5 m -60.01 -53.95 51.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.592 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.6 t -60.27 -31.45 48.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.534 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.22 -46.57 57.09 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -70.61 -31.01 67.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.974 0.416 . . . . 0.0 110.378 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.97 -36.33 73.01 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 48.6 mt -72.56 -36.52 54.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.568 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tp -63.79 -44.14 94.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.563 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.6 mm -62.76 -41.67 93.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.745 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.62 -46.32 83.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.589 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -61.83 -41.3 97.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.542 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 tt -58.86 -39.89 82.7 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 120.851 0.358 . . . . 0.0 110.59 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.6 mm -64.81 -36.84 78.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.695 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.4 t -65.19 -49.12 80.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.43 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 53.7 m -64.15 -31.61 72.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.554 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -68.35 -51.05 48.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.622 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 67.2 m -58.24 -33.55 69.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.49 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 67.7 mt . . . . . 0 C--N 1.333 -0.151 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.528 179.851 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 tp . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.84 0.353 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 65.2 mt -62.79 -46.35 96.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.523 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 80.7 m -57.55 -47.77 81.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.402 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 mt -56.67 -47.69 79.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.574 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.8 m -56.95 -48.42 78.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.349 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.6 t -58.36 -34.8 51.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.963 0.411 . . . . 0.0 110.964 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.2 -43.06 48.68 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -69.57 -32.57 71.42 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.0 -38.18 74.17 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 110.639 -0.984 . . . . 0.0 110.639 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.1 mt -68.98 -33.53 59.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.94 0.4 . . . . 0.0 110.341 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 tp -65.47 -42.68 92.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.311 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 94.1 mt -62.58 -39.8 85.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.307 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.76 -46.85 83.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.348 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 t -64.54 -39.27 93.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.697 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.16 -39.43 86.38 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 120.801 0.334 . . . . 0.0 110.383 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 74.6 mt -67.32 -36.45 76.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.75 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.7 t -71.65 -44.33 69.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.528 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 93.1 m -62.96 -31.56 72.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.473 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -71.06 -45.0 64.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.492 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 82.6 m -59.22 -35.72 74.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.4 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 71.8 mt . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.535 179.86 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 mm? . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 120.788 0.328 . . . . 0.0 110.671 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 97.9 mt -61.63 -37.83 78.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.471 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.2 m -64.24 -44.8 90.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.531 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 mt -62.25 -37.34 85.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.617 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 46.6 m -63.92 -48.94 74.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.535 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 92.1 t -66.46 -29.85 47.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.777 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.65 -43.03 45.1 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -73.72 -31.05 63.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.841 0.353 . . . . 0.0 110.224 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.68 -38.3 61.28 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 61.4 mt -70.18 -38.04 73.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.907 0.384 . . . . 0.0 110.505 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mp -63.43 -42.47 98.7 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.565 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.4 mm -62.54 -39.79 85.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.389 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.1 -47.26 87.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.445 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.78 -40.62 83.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.652 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.9 tt -52.7 -45.5 66.91 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 120.821 0.343 . . . . 0.0 110.445 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.0 mt -65.21 -41.25 91.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.491 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 50.4 t -63.3 -46.89 94.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.661 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.3 m -64.96 -33.99 77.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.621 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.407 ' CD1' ' C ' ' A' ' 25' ' ' TYR . 31.6 t80 -68.21 -48.45 65.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.541 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 64.3 m -59.49 -32.96 70.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.431 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.9 mm . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.551 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 tp . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.73 0.3 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.5 mm -59.08 -47.47 89.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.0 m -60.72 -45.77 92.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.494 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -57.18 -43.85 83.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.701 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.8 m -63.18 -45.56 91.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.606 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.99 -31.78 52.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.759 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.33 -45.49 30.19 Favored Glycine 0 CA--C 1.521 0.406 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -66.91 -32.06 73.07 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.95 -38.09 56.17 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.394 -1.082 . . . . 0.0 110.394 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 48.8 mt -70.65 -37.92 71.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.3 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.46 -42.68 99.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.2 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.2 mm -64.48 -37.22 79.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.875 0.369 . . . . 0.0 110.194 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.94 -45.06 68.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.71 179.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.12 -36.14 82.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.842 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 tt -66.49 -39.56 88.81 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 120.775 0.322 . . . . 0.0 110.763 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 70.0 mt -67.55 -33.3 61.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.468 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.8 t -68.0 -45.14 84.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.387 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.1 m -66.02 -31.66 72.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.438 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -66.73 -46.28 75.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.478 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 97.2 m -60.74 -39.91 90.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.529 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 72.1 mt . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.37 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.75 0.31 . . . . 0.0 110.568 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 63.1 mt -66.26 -39.52 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.556 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 58.1 m -62.49 -48.41 79.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.498 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.99 -45.62 75.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.499 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.6 m -65.15 -46.34 81.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.591 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.2 t -61.66 -30.49 48.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.642 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.7 -46.61 30.16 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -68.6 -31.81 71.25 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.877 0.37 . . . . 0.0 110.159 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.87 -35.63 61.64 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.5 mm -69.85 -37.12 72.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.129 0.49 . . . . 0.0 110.766 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.68 -44.44 93.7 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.442 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 86.9 mt -59.78 -42.77 89.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.453 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.51 -45.42 94.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.578 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.6 m -64.39 -43.03 95.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.654 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.1 tt -56.35 -41.26 75.81 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 120.83 0.348 . . . . 0.0 110.42 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.4 mt -64.13 -39.17 84.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.629 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.2 t -64.5 -50.62 75.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.593 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 88.1 m -64.3 -32.39 73.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.463 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -67.87 -44.59 76.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.556 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 74.8 m -63.24 -31.38 72.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.543 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.0 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.591 179.775 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.805 0.336 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 60.7 mt -60.65 -46.62 95.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.612 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.4 m -61.14 -40.73 94.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.599 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 tp -60.52 -43.88 96.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.64 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.1 m -65.84 -39.28 90.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.539 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 76.3 t -64.09 -32.73 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.553 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.16 -44.41 53.69 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.417 ' CE2' HD11 ' A' ' 18' ' ' ILE . 62.6 t80 -69.96 -33.03 71.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.753 0.311 . . . . 0.0 110.515 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.26 -37.9 63.12 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 57.1 mt -69.42 -36.08 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.8 0.334 . . . . 0.0 110.498 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.11 -39.65 90.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.494 179.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.417 HD11 ' CE2' ' A' ' 14' ' ' PHE . 76.6 mt -64.08 -42.28 95.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.576 179.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -62.55 -44.97 95.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.575 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 t -64.82 -43.75 92.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.542 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.5 tt -55.84 -39.4 71.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.636 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 64.7 mt -66.74 -39.8 84.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.565 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.6 t -68.33 -40.14 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.562 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.3 m -68.42 -30.8 69.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.551 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -67.56 -47.53 69.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.567 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 80.8 m -62.18 -36.83 83.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.547 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.4 mt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.522 179.823 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.7 mp . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.867 0.365 . . . . 0.0 110.212 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.6 mm -62.07 -38.72 81.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.448 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 49.2 m -58.22 -48.09 81.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.253 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 mp -63.68 -37.81 88.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.57 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.3 m -62.74 -53.43 54.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.403 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.3 t -57.29 -33.7 44.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.923 0.392 . . . . 0.0 110.852 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.57 -45.62 52.45 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -70.34 -30.94 68.03 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.851 0.358 . . . . 0.0 110.165 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.18 -37.82 63.48 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 56.9 mt -70.69 -36.3 64.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.941 0.401 . . . . 0.0 110.664 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.9 tp -65.16 -47.35 77.33 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.856 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mm -59.32 -41.48 84.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.593 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -65.04 -42.49 94.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.37 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.56 -39.44 91.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.654 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 tt -59.51 -41.71 90.54 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 120.725 0.298 . . . . 0.0 110.64 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 88.2 mt -66.24 -37.46 79.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.789 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.4 t -63.54 -51.92 64.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.482 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 94.5 m -60.35 -32.28 71.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.393 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -65.74 -46.93 77.0 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.361 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.7 m -57.04 -36.93 71.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.189 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.0 mm . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.709 -179.825 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 tp . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.803 0.335 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 34.9 mt -65.66 -48.14 83.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.671 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.5 m -57.15 -43.76 82.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.411 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -64.06 -41.18 97.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.3 m -59.96 -46.87 88.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.525 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 87.1 t -61.66 -33.97 59.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.779 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.51 -43.65 76.38 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -71.42 -31.49 67.3 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.837 0.351 . . . . 0.0 110.165 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.33 -37.51 59.04 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.641 -0.983 . . . . 0.0 110.641 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 49.5 mt -68.61 -35.93 72.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.888 0.375 . . . . 0.0 110.306 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.1 -46.03 82.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.628 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.3 mm -61.47 -40.09 85.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.637 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -61.89 -46.69 88.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.599 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.4 p -65.58 -41.2 93.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.619 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.0 tt -55.29 -42.12 73.23 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.358 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 93.3 mt -64.32 -41.81 93.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.586 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 78.4 t -66.83 -47.53 82.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.505 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.5 m -62.06 -32.71 73.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.485 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -65.51 -49.0 70.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.567 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 91.0 m -62.59 -32.91 73.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.631 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 74.4 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.597 179.849 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.769 0.319 . . . . 0.0 110.538 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.8 mt -65.18 -36.38 77.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.541 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 89.9 m -67.19 -42.26 84.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.627 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.65 -43.03 94.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.517 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.3 m -58.94 -49.77 76.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.514 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.0 t -64.78 -32.83 59.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.558 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.21 -45.15 50.87 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -69.76 -32.0 70.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.833 0.349 . . . . 0.0 110.618 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.48 -36.84 69.05 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.0 mt -71.67 -36.85 60.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.763 0.316 . . . . 0.0 110.473 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.19 -42.66 96.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.565 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.5 mm -63.05 -42.76 97.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.587 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.44 -41.13 93.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.6 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.5 m -68.09 -37.82 81.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.626 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.5 tt -60.43 -40.76 92.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.497 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.0 -39.24 77.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.642 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 89.3 t -68.49 -43.46 83.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.581 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.3 m -64.21 -31.98 73.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.654 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -69.86 -43.77 71.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.569 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.0 m -63.54 -30.44 71.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.503 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.3 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.547 179.943 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.86 0.362 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 65.3 mt -56.79 -50.61 74.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.7 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 86.7 m -59.3 -44.98 92.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.518 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -58.93 -45.11 91.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.597 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.1 m -60.17 -53.73 54.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.366 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.4 t -60.59 -27.12 39.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.106 0.479 . . . . 0.0 110.549 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.59 -50.12 27.14 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -66.15 -31.71 72.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.877 0.37 . . . . 0.0 110.034 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.5 -38.58 44.07 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.7 mm -64.69 -38.85 83.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.094 0.473 . . . . 0.0 110.601 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.15 -49.87 58.24 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.611 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.5 mm -55.55 -41.7 65.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.62 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -65.5 -44.52 86.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.55 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 t -64.42 -37.09 86.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.4 tp -64.12 -40.0 95.24 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 120.859 0.361 . . . . 0.0 110.579 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.412 ' O ' ' SG ' ' A' ' 26' ' ' CYS . 88.7 mt -67.97 -31.39 51.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.186 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.8 t -72.56 -46.93 53.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.634 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 94.9 m -64.84 -31.7 73.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.61 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -69.14 -50.63 46.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.824 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 22' ' ' ILE . 68.3 m -57.12 -33.79 67.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.47 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 65.8 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.412 179.896 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.796 0.332 . . . . 0.0 110.601 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 81.0 mt -58.33 -44.13 87.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.394 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.3 m -56.55 -52.88 63.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.592 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 mt -56.47 -43.81 79.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.651 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 43.5 m -61.87 -47.93 82.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.498 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.03 -34.34 56.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.997 0.427 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.45 -50.48 31.82 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -64.56 -32.42 74.06 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.878 0.371 . . . . 0.0 110.108 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.47 -37.31 58.57 Favored Glycine 0 CA--C 1.52 0.358 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mm -69.58 -37.24 74.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.115 0.483 . . . . 0.0 110.742 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mt -64.48 -43.93 92.61 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.558 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.4 mm -62.52 -40.22 87.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.54 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.8 t80 -66.01 -45.38 81.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.542 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.86 -37.61 86.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.743 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.34 -39.14 92.13 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 120.845 0.355 . . . . 0.0 110.445 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 64.9 mt -65.26 -40.21 87.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.548 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 67.7 t -67.68 -50.9 56.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.399 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.4 m -56.23 -32.06 64.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.418 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -66.37 -52.61 45.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.619 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.4 m -55.94 -31.41 62.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.593 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 80.8 mt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.529 179.987 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.768 0.318 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.59 -44.39 93.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.601 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.7 m -59.36 -41.63 89.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.593 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.84 -40.69 98.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.517 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.7 m -65.09 -40.64 94.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.576 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.4 t -61.78 -36.58 74.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.598 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.87 -46.77 51.17 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -68.79 -30.5 69.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.77 0.319 . . . . 0.0 110.544 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.0 -35.63 61.21 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.2 mt -73.43 -34.24 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.786 0.326 . . . . 0.0 110.567 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.14 -46.61 86.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.531 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 86.0 mt -62.82 -39.56 85.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.603 179.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -64.84 -44.28 90.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.518 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.9 p -68.49 -34.37 75.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.612 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 tt -62.54 -40.78 97.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.566 179.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 74.4 mt -66.05 -38.0 81.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.625 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.6 t -64.15 -49.99 78.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.572 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 52.0 m -62.96 -34.18 76.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.529 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -64.69 -47.9 76.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.534 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 88.4 m -59.0 -36.86 75.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.4 mm . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.525 179.963 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 tt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.883 0.373 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 91.0 mt -60.78 -39.87 83.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.431 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.5 m -57.32 -50.73 71.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.509 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 mp -56.36 -41.74 76.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.547 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 95.2 m -58.75 -47.27 85.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.547 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.5 t -66.77 -29.33 46.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.999 0.428 . . . . 0.0 110.881 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.88 -45.19 34.53 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -72.71 -32.07 65.46 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.975 0.417 . . . . 0.0 109.925 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.72 -36.81 75.83 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.0 mm -71.94 -35.13 53.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.14 0.495 . . . . 0.0 110.699 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 mt -63.96 -41.29 97.61 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.553 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mm -67.05 -39.21 82.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.458 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -62.11 -46.68 87.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.297 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 71.8 p -67.5 -44.0 79.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.051 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.29 -41.31 68.75 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 120.959 0.409 . . . . 0.0 110.333 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 54.6 mt -65.85 -39.92 86.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.719 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.3 t -69.92 -43.45 79.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.61 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.5 m -63.55 -31.96 73.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.266 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -65.5 -51.21 61.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.369 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 94.8 m -61.08 -37.22 81.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.428 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.402 HD12 HG23 ' A' ' 27' ' ' ILE . 79.2 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.605 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 mp . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.73 0.3 . . . . 0.0 110.699 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.0 mm -63.6 -39.4 85.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.715 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.3 m -63.93 -44.56 92.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.765 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.93 -41.23 97.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.824 -179.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.6 m -63.16 -48.32 78.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.739 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.9 t -67.39 -24.12 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.815 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.47 -47.78 20.71 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -76.74 -32.35 57.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.805 0.336 . . . . 0.0 110.733 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.68 -36.12 82.05 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.5 mm -72.62 -40.86 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 110.72 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.02 -44.4 91.72 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.548 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mm -64.99 -39.44 85.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.642 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -61.89 -46.27 90.13 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.517 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.5 p -66.75 -40.52 88.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.635 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 53.3 tp -59.91 -39.17 84.5 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.564 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 67.7 mt -67.34 -37.28 78.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.557 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.4 t -68.53 -46.57 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.291 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.4 m -61.87 -31.64 71.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.394 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -66.58 -49.54 66.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.421 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 59.3 m -59.59 -33.54 71.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.556 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 59.5 mt . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.624 -179.827 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.8 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.759 0.314 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.3 mm -54.44 -52.33 40.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.65 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.3 m -64.59 -41.89 95.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.505 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.08 -45.63 71.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.549 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 51.5 m -63.94 -46.97 82.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.537 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.437 ' O ' ' CG1' ' A' ' 16' ' ' ILE . 67.6 t -61.45 -27.4 41.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.544 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.76 -48.57 21.36 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -72.57 -32.73 66.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.744 0.307 . . . . 0.0 110.568 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.35 -35.85 59.86 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.437 ' CG1' ' O ' ' A' ' 12' ' ' VAL . 3.2 mm -70.7 -38.29 72.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.759 0.314 . . . . 0.0 110.532 179.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.39 -48.41 81.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.538 179.617 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 89.7 mt -59.91 -41.92 87.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.527 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.76 -46.64 88.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.596 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.81 -45.7 91.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.585 179.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.3 tp -55.95 -40.23 72.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.509 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.3 mm -63.55 -38.6 82.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.563 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.7 t -68.24 -44.83 83.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.595 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.0 m -64.58 -30.93 71.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.566 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -70.62 -48.05 57.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.506 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 90.7 m -60.72 -36.6 79.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.511 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.4 mt . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.543 -179.989 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 mt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.885 0.374 . . . . 0.0 110.641 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 59.2 mt -55.91 -37.41 47.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.657 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 59.1 m -62.58 -48.36 79.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.5 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.43 -42.49 91.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.51 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.8 m -63.94 -43.54 95.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.581 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 56.0 t -63.48 -34.33 66.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.571 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.68 -45.49 52.57 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -68.51 -30.85 69.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.838 0.351 . . . . 0.0 110.579 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.47 -35.41 59.68 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.6 mt -70.13 -37.02 70.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.816 0.341 . . . . 0.0 110.608 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -67.34 -45.45 76.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.534 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.5 mm -60.71 -39.06 80.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.61 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -66.94 -44.65 80.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.563 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 t -64.02 -42.03 97.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.614 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 tt -56.6 -42.23 78.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.563 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 71.9 mt -64.86 -38.58 83.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.613 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.7 t -64.07 -48.16 87.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.582 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 80.7 m -63.05 -31.94 73.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.553 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -70.8 -50.37 36.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.557 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 98.3 m -56.62 -34.27 67.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.545 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 54.2 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.606 -179.801 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.702 0.287 . . . . 0.0 110.598 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 67.9 mt -60.86 -46.56 96.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.663 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 59.5 m -62.07 -45.24 94.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.547 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 tp -60.24 -44.54 95.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.494 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.4 m -61.0 -43.85 98.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.382 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.2 t -71.37 -22.22 22.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.078 0.466 . . . . 0.0 110.709 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.48 -41.82 43.21 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -74.98 -32.1 61.59 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.9 0.381 . . . . 0.0 110.112 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.19 -37.6 48.45 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.656 -0.978 . . . . 0.0 110.656 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.2 mm -69.19 -39.73 79.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.118 0.485 . . . . 0.0 110.586 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 tp -65.16 -42.44 93.73 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.337 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mm -61.26 -39.67 83.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.644 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -64.51 -44.41 91.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.527 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.21 -39.92 86.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.737 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 tt -57.46 -40.67 78.99 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 120.884 0.374 . . . . 0.0 110.515 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 57.3 mt -66.81 -40.05 85.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.742 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.7 -49.94 59.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.502 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.3 m -57.42 -31.88 66.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.413 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -67.34 -49.21 65.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.609 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 80.8 m -58.56 -33.08 69.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.417 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 17.2 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.662 179.915 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 120.893 0.378 . . . . 0.0 110.532 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 97.3 mt -59.01 -37.02 65.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.475 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.1 m -65.37 -47.17 77.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.467 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 mp -59.49 -36.16 75.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.419 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 43.6 m -68.33 -47.11 68.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.512 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 56.1 t -57.08 -37.83 57.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.063 0.459 . . . . 0.0 110.777 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.62 -42.75 87.47 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -67.25 -33.12 74.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.994 0.426 . . . . 0.0 109.911 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.97 -34.86 58.41 Favored Glycine 0 N--CA 1.463 0.494 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.8 mt -70.26 -34.64 59.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.94 0.4 . . . . 0.0 110.494 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 tp -66.8 -42.85 85.27 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.678 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 90.0 mt -63.06 -38.73 82.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.538 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.23 -46.12 74.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.062 0.458 . . . . 0.0 110.555 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 p -63.53 -35.9 82.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.511 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.4 tp -63.46 -42.17 98.62 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-O 120.912 0.387 . . . . 0.0 110.348 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.3 mt -66.4 -31.47 53.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.602 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.9 t -68.26 -51.71 45.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.463 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 47.3 m -63.85 -32.3 73.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.454 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -65.71 -50.85 63.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.406 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 92.2 m -58.48 -32.74 69.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.423 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 85.9 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.659 -179.91 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.822 0.344 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.1 mt -56.03 -39.35 57.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.596 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.9 m -66.03 -42.78 89.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.383 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.3 mt -63.37 -36.79 84.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.429 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 51.1 m -65.87 -49.1 69.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.659 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.9 t -60.73 -26.5 38.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.906 0.384 . . . . 0.0 110.947 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.37 -45.22 31.08 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 111.281 -0.728 . . . . 0.0 111.281 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -75.31 -31.19 60.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.085 0.469 . . . . 0.0 110.142 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.54 -37.75 58.06 Favored Glycine 0 CA--C 1.519 0.299 0 N-CA-C 110.594 -1.003 . . . . 0.0 110.594 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.2 mm -69.37 -41.39 80.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.057 0.456 . . . . 0.0 110.648 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.08 -48.38 81.94 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.657 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.6 mm -60.14 -39.55 80.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.047 0.451 . . . . 0.0 110.3 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -62.72 -47.5 83.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.239 0.542 . . . . 0.0 110.317 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.4 -41.09 98.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.704 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 tt -57.0 -41.68 78.88 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-O 120.877 0.37 . . . . 0.0 110.448 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 90.5 mt -62.5 -39.17 83.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.651 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.8 t -71.85 -41.41 69.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.439 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.6 m -63.56 -31.98 73.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.389 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -72.3 -42.24 65.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.338 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 88.0 m -60.9 -36.16 78.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.292 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.4 mt . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.557 179.962 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.02 -41.47 97.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.632 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.8 mmmt -61.0 -47.88 84.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.5 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -54.4 -45.59 72.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.463 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.0 mt -64.94 -43.41 92.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.545 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -56.7 -45.23 81.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.513 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.33 -49.43 77.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.613 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 68.1 mt -55.7 -45.78 79.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.606 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.8 m -63.89 -43.53 95.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.406 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.44 -47.69 81.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.466 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.9 m -58.27 -50.49 73.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.648 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.7 t -61.09 -32.04 51.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.91 -40.8 51.12 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -72.32 -31.41 65.65 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.33 -36.36 63.33 Favored Glycine 0 CA--C 1.52 0.358 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.438 ' O ' ' OG ' ' A' ' 20' ' ' SER . 44.6 mt -70.45 -36.02 64.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.307 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 mp -65.26 -41.75 93.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.629 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 78.5 mt -62.53 -41.27 91.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.412 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -62.68 -44.24 96.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.406 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -66.49 -41.35 89.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.38 -40.27 77.81 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 120.882 0.372 . . . . 0.0 110.551 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.443 ' O ' ' SG ' ' A' ' 26' ' ' CYS . 30.9 mt -69.64 -34.6 62.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.677 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.5 t -70.81 -50.29 44.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.457 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 88.1 m -63.22 -34.95 78.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.643 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -63.34 -48.63 77.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.507 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.443 ' SG ' ' O ' ' A' ' 22' ' ' ILE . 79.6 m -58.45 -36.52 73.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.273 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.1 mt -70.26 -43.11 78.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.596 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -52.37 -41.34 63.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.543 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.26 -43.88 66.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.791 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.6 mttm -60.73 -22.87 64.45 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.517 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.03 -32.65 17.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.999 0.428 . . . . 0.0 110.915 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -71.73 -21.67 61.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.796 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 88.9 t -72.18 -18.8 19.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.436 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.491 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 8.2 mp -101.62 -55.69 2.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.129 0.49 . . . . 0.0 110.968 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.415 ' O ' ' O ' ' A' ' 36' ' ' ILE . 41.7 m-85 -79.98 26.7 0.33 Allowed 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.058 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.44 ' H ' ' C ' ' A' ' 34' ' ' LEU . 96.3 mt -38.97 -92.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.436 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -101.4 161.9 22.16 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.766 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -40.16 144.3 0.4 Allowed 'Trans proline' 0 C--N 1.313 -1.333 0 C-N-CA 122.747 2.298 . . . . 0.0 112.293 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.85 151.89 37.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.392 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.21 162.7 21.79 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.802 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -41.06 140.16 1.3 Allowed 'Trans proline' 0 C--N 1.31 -1.495 0 C-N-CA 122.669 2.246 . . . . 0.0 112.149 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.72 -37.19 3.87 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.22 154.23 1.72 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.769 0.319 . . . . 0.0 110.588 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 73.9 t -92.97 118.31 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.88 156.73 39.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.538 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 19.8 t80 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.594 179.957 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.3 m -57.76 -43.17 85.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.562 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -62.28 -47.36 84.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.523 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -55.53 -47.05 76.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.641 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.2 mt -59.91 -47.81 84.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.597 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -59.67 -41.07 89.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.634 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.62 -47.8 84.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.6 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 24.8 mt -65.32 -36.3 77.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.664 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 59.2 m -62.98 -47.12 84.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.506 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 tp -59.4 -37.99 79.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.517 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.5 m -60.01 -53.95 51.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.592 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.6 t -60.27 -31.45 48.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.534 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.22 -46.57 57.09 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -70.61 -31.01 67.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.974 0.416 . . . . 0.0 110.378 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.97 -36.33 73.01 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 48.6 mt -72.56 -36.52 54.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.568 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tp -63.79 -44.14 94.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.563 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.6 mm -62.76 -41.67 93.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.745 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.62 -46.32 83.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.589 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -61.83 -41.3 97.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.542 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 tt -58.86 -39.89 82.7 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 120.851 0.358 . . . . 0.0 110.59 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.6 mm -64.81 -36.84 78.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.695 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.4 t -65.19 -49.12 80.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.43 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 53.7 m -64.15 -31.61 72.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.554 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -68.35 -51.05 48.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.622 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 67.2 m -58.24 -33.55 69.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.49 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 67.7 mt -70.7 -50.12 46.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.528 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.401 ' O ' ' OD2' ' A' ' 32' ' ' ASP . 42.4 m-20 -47.16 -48.27 23.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.007 0.432 . . . . 0.0 110.548 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.53 -52.14 65.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.686 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.8 mmtm -57.88 -21.85 45.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.513 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.13 -35.42 18.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.27 0.557 . . . . 0.0 110.704 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.484 ' C ' ' H ' ' A' ' 34' ' ' LEU . 52.4 m-20 -69.54 -29.38 66.96 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.804 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.445 ' O ' ' O ' ' A' ' 37' ' ' ALA . 76.7 t -56.72 -6.91 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.328 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.563 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 7.3 mp -92.27 -49.1 6.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.791 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -77.67 -3.32 40.43 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.697 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.546 ' CG2' ' H ' ' A' ' 37' ' ' ALA . 86.0 mt -108.5 -113.55 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.657 179.099 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.546 ' H ' ' CG2' ' A' ' 36' ' ' ILE . . . -99.19 161.64 24.06 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.641 -179.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -70.17 -167.57 0.25 Allowed 'Trans proline' 0 C--N 1.3 -1.976 0 C-N-CA 122.983 2.456 . . . . 0.0 112.07 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -60.85 146.09 47.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.465 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.533 ' C ' ' H ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -114.82 162.12 25.47 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.647 -179.852 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -68.86 22.17 0.14 Allowed 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.807 2.338 . . . . 0.0 112.167 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.533 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . 70.38 -62.08 0.83 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 178.29 2.89 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.667 0.27 . . . . 0.0 110.546 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.3 t -131.17 120.59 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.467 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t -92.48 145.12 24.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.618 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 23.9 p90 . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.495 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.517 ' HG ' ' N ' ' A' ' 3' ' ' LYS . 4.4 p -60.57 -40.07 90.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.503 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.517 ' N ' ' HG ' ' A' ' 2' ' ' SER . 1.0 OUTLIER -55.82 -44.28 77.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.437 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -63.39 -44.54 94.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.526 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.9 mt -64.31 -35.78 81.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.687 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -65.92 -47.02 76.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.525 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 tp -57.94 -40.25 80.01 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.431 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 65.2 mt -62.79 -46.35 96.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.523 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 80.7 m -57.55 -47.77 81.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.402 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 mt -56.67 -47.69 79.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.574 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.8 m -56.95 -48.42 78.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.349 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.6 t -58.36 -34.8 51.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.963 0.411 . . . . 0.0 110.964 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.2 -43.06 48.68 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -69.57 -32.57 71.42 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.0 -38.18 74.17 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 110.639 -0.984 . . . . 0.0 110.639 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.1 mt -68.98 -33.53 59.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.94 0.4 . . . . 0.0 110.341 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 tp -65.47 -42.68 92.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.311 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 94.1 mt -62.58 -39.8 85.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.307 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.76 -46.85 83.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.348 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 t -64.54 -39.27 93.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.697 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.16 -39.43 86.38 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 120.801 0.334 . . . . 0.0 110.383 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 74.6 mt -67.32 -36.45 76.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.75 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.7 t -71.65 -44.33 69.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.528 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 93.1 m -62.96 -31.56 72.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.473 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -71.06 -45.0 64.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.492 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 82.6 m -59.22 -35.72 74.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.4 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 71.8 mt -67.88 -46.58 81.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.535 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -56.0 -36.56 68.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.624 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.38 -45.66 75.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.692 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.9 mmtp -64.85 -20.76 66.58 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.536 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.16 -34.36 17.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.684 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.462 ' C ' ' H ' ' A' ' 34' ' ' LEU . 2.5 m-20 -69.16 -28.11 66.13 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.829 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 37' ' ' ALA . 65.3 t -60.24 -3.64 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.539 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.518 ' N ' ' CD2' ' A' ' 34' ' ' LEU . 3.7 mm? -94.14 -56.07 2.98 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 121.362 0.601 . . . . 0.0 110.98 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -80.22 -12.27 59.65 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.744 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.617 ' CG2' ' H ' ' A' ' 37' ' ' ALA . 40.8 mm -111.46 -123.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.466 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.617 ' H ' ' CG2' ' A' ' 36' ' ' ILE . . . -49.03 161.14 0.44 Allowed Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.485 -179.307 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -69.12 175.53 7.45 Favored 'Trans proline' 0 C--N 1.308 -1.567 0 C-N-CA 122.7 2.267 . . . . 0.0 112.137 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.1 ptp85 -90.16 152.25 21.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.477 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.45 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 0.1 OUTLIER -102.81 155.45 36.54 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.52 -179.644 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.04 -41.45 22.67 Favored 'Trans proline' 0 N--CA 1.494 1.507 0 C-N-CA 122.792 2.328 . . . . 0.0 112.233 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 66.96 4.76 29.25 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 74.29 24.65 1.84 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.781 0.324 . . . . 0.0 110.496 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.0 t -91.34 91.88 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.552 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.9 122.64 47.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.607 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.522 -179.89 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 p -49.25 -39.05 28.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.54 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.1 mttm -67.41 -47.34 70.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.573 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -55.3 -41.85 72.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.541 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.6 mt -68.43 -41.99 79.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.557 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -60.23 -43.46 96.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.549 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -64.52 -48.37 75.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.671 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 97.9 mt -61.63 -37.83 78.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.471 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.2 m -64.24 -44.8 90.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.531 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 mt -62.25 -37.34 85.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.617 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 46.6 m -63.92 -48.94 74.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.535 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 92.1 t -66.46 -29.85 47.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.777 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.65 -43.03 45.1 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -73.72 -31.05 63.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.841 0.353 . . . . 0.0 110.224 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.68 -38.3 61.28 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 61.4 mt -70.18 -38.04 73.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.907 0.384 . . . . 0.0 110.505 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mp -63.43 -42.47 98.7 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.565 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.4 mm -62.54 -39.79 85.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.389 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.1 -47.26 87.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.445 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.78 -40.62 83.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.652 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.9 tt -52.7 -45.5 66.91 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 120.821 0.343 . . . . 0.0 110.445 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.0 mt -65.21 -41.25 91.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.491 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 50.4 t -63.3 -46.89 94.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.661 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.3 m -64.96 -33.99 77.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.621 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.407 ' CD1' ' C ' ' A' ' 25' ' ' TYR . 31.6 t80 -68.21 -48.45 65.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.541 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 64.3 m -59.49 -32.96 70.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.431 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.9 mm -67.52 -48.91 75.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.551 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.422 ' O ' ' OD2' ' A' ' 32' ' ' ASP . 79.7 m-20 -54.63 -38.57 67.0 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.357 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.14 -50.61 67.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.586 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.5 mttt -62.42 -18.72 62.33 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.454 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.66 -31.29 19.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.288 0.566 . . . . 0.0 110.648 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.422 ' OD2' ' O ' ' A' ' 28' ' ' ASN . 5.1 m-20 -73.76 -25.71 60.3 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.813 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.435 ' O ' ' CG1' ' A' ' 33' ' ' VAL . 37.8 t -63.52 -10.74 7.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.448 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.561 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 6.2 mp -78.45 -51.1 10.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.072 0.463 . . . . 0.0 110.779 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -79.34 -12.89 59.92 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.991 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.531 ' CG2' ' N ' ' A' ' 37' ' ' ALA . 74.4 mt -104.49 -115.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.522 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.531 ' N ' ' CG2' ' A' ' 36' ' ' ILE . . . -48.02 162.07 0.34 Allowed Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.486 -179.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -39.79 161.48 0.02 OUTLIER 'Trans proline' 0 C--N 1.31 -1.49 0 C-N-CA 122.802 2.335 . . . . 0.0 112.256 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.2 mtt85 -68.41 123.31 20.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.694 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -51.53 152.26 4.87 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.641 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -38.91 -41.63 1.8 Allowed 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 122.791 2.327 . . . . 0.0 112.299 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.55 -33.58 6.36 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -100.92 -108.33 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.81 0.338 . . . . 0.0 110.524 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.4 t -93.23 142.01 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.503 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.416 ' H ' ' HG ' ' A' ' 45' ' ' SER . 12.4 p -84.07 156.53 22.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.612 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 54.5 t80 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.533 -179.941 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.13 -46.51 80.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.587 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 50.4 mttt -55.81 -42.33 75.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.503 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.27 -50.03 73.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.839 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.1 mt -57.8 -45.84 85.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.6 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -57.11 -46.89 82.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.585 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 tp -62.13 -46.09 90.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.702 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.5 mm -59.08 -47.47 89.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.0 m -60.72 -45.77 92.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.494 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -57.18 -43.85 83.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.701 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.8 m -63.18 -45.56 91.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.606 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.99 -31.78 52.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.759 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.33 -45.49 30.19 Favored Glycine 0 CA--C 1.521 0.406 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -66.91 -32.06 73.07 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.95 -38.09 56.17 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.394 -1.082 . . . . 0.0 110.394 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 48.8 mt -70.65 -37.92 71.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.3 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.46 -42.68 99.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.2 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.2 mm -64.48 -37.22 79.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.875 0.369 . . . . 0.0 110.194 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.94 -45.06 68.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.71 179.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.12 -36.14 82.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.842 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 tt -66.49 -39.56 88.81 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 120.775 0.322 . . . . 0.0 110.763 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 70.0 mt -67.55 -33.3 61.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.468 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.8 t -68.0 -45.14 84.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.387 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.523 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 29.1 m -66.02 -31.66 72.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.438 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -66.73 -46.28 75.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.478 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 97.2 m -60.74 -39.91 90.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.529 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 72.1 mt -65.79 -46.14 89.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.37 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.523 ' ND2' ' O ' ' A' ' 24' ' ' THR . 67.0 m-20 -52.69 -40.63 63.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.407 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.36 -49.59 59.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.9 mttp -59.87 -28.02 67.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.639 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.36 -32.73 26.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.246 0.546 . . . . 0.0 110.814 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.499 ' C ' ' H ' ' A' ' 34' ' ' LEU . 5.9 m-20 -68.59 -28.92 67.36 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.761 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.412 ' O ' ' CG1' ' A' ' 33' ' ' VAL . 92.0 t -61.35 -0.58 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.682 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.499 ' H ' ' C ' ' A' ' 32' ' ' ASP . 91.7 mt -84.5 -57.32 3.19 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-O 121.306 0.574 . . . . 0.0 111.024 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -85.49 -15.42 42.93 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.227 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.606 ' CG2' ' H ' ' A' ' 37' ' ' ALA . 38.6 mm -102.17 -121.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.606 ' H ' ' CG2' ' A' ' 36' ' ' ILE . . . -48.41 161.17 0.4 Allowed Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.784 -179.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_exo -39.74 153.11 0.06 OUTLIER 'Trans proline' 0 C--N 1.311 -1.406 0 C-N-CA 122.695 2.263 . . . . 0.0 112.206 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -60.64 153.82 22.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.542 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.04 162.28 2.02 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.682 -179.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -40.58 -38.8 2.69 Favored 'Trans proline' 0 C--N 1.311 -1.417 0 C-N-CA 122.784 2.323 . . . . 0.0 112.191 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.72 29.7 15.27 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.524 ' O ' ' CB ' ' A' ' 44' ' ' VAL . . . 61.79 35.2 16.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 118.113 -0.946 . . . . 0.0 111.76 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.524 ' CB ' ' O ' ' A' ' 43' ' ' ALA . 84.3 t 114.88 120.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.298 0 O-C-N 125.123 1.515 . . . . 0.0 110.138 179.437 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.5 m -71.44 111.2 6.57 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.709 -0.397 . . . . 0.0 110.297 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 25.1 t80 . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 117.934 -1.032 . . . . 0.0 110.58 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 p -54.3 -36.89 64.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.389 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -63.67 -47.13 82.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.436 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -52.72 -50.68 62.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.458 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.6 mt -61.98 -43.81 98.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.555 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -61.22 -38.74 87.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.415 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.45 -42.97 99.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.568 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 63.1 mt -66.26 -39.52 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.556 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 58.1 m -62.49 -48.41 79.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.498 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.99 -45.62 75.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.499 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.6 m -65.15 -46.34 81.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.591 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.2 t -61.66 -30.49 48.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.642 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.7 -46.61 30.16 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -68.6 -31.81 71.25 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.877 0.37 . . . . 0.0 110.159 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.87 -35.63 61.64 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.5 mm -69.85 -37.12 72.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.129 0.49 . . . . 0.0 110.766 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.68 -44.44 93.7 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.442 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 86.9 mt -59.78 -42.77 89.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.453 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.51 -45.42 94.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.578 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.6 m -64.39 -43.03 95.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.654 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.1 tt -56.35 -41.26 75.81 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 120.83 0.348 . . . . 0.0 110.42 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.4 mt -64.13 -39.17 84.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.629 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.2 t -64.5 -50.62 75.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.593 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 88.1 m -64.3 -32.39 73.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.463 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -67.87 -44.59 76.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.556 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 74.8 m -63.24 -31.38 72.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.543 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.0 mt -71.65 -44.91 69.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.591 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.19 -28.42 70.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.614 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.22 -50.36 12.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.644 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.507 ' HZ2' ' CB ' ' A' ' 30' ' ' LYS . 0.6 OUTLIER -62.44 -21.3 65.31 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.7 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.4 -10.82 12.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.698 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -87.31 0.46 55.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.64 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.411 ' O ' ' CD1' ' A' ' 36' ' ' ILE . 45.6 t -99.62 -21.13 5.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.491 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.5 ' N ' ' CD2' ' A' ' 34' ' ' LEU . 3.8 mm? -101.94 -44.61 5.44 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.361 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.421 ' O ' ' O ' ' A' ' 36' ' ' ILE . 52.7 m-85 -80.35 11.55 3.53 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.124 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.421 ' O ' ' O ' ' A' ' 35' ' ' PHE . 69.9 mt -38.05 -93.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.538 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.403 ' N ' ' CG2' ' A' ' 36' ' ' ILE . . . -95.79 161.54 27.18 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.73 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -71.03 144.26 46.83 Favored 'Trans proline' 0 C--N 1.308 -1.567 0 C-N-CA 122.742 2.294 . . . . 0.0 112.075 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.523 HH11 ' CG ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -62.35 105.33 0.6 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.58 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 43' ' ' ALA . 3.9 mm-40 -95.91 152.13 38.79 Favored Pre-proline 0 N--CA 1.451 -0.414 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.788 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.404 ' C ' ' H ' ' A' ' 43' ' ' ALA . 52.5 Cg_exo -38.69 120.19 0.47 Allowed 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 123.008 2.472 . . . . 0.0 112.095 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.52 -32.1 2.38 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 40' ' ' GLU . . . 42.06 67.55 0.57 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.634 0.254 . . . . 0.0 110.554 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.2 t -116.25 110.13 30.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.648 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.6 m -43.64 112.04 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.561 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.238 -0.886 . . . . 0.0 110.593 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.64 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.91 -2.3 2.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.57 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 37.8 tttm -62.99 -39.49 94.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.543 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -60.43 -52.83 63.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.608 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 mt -58.19 -42.57 86.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.603 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -60.15 -48.67 80.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.563 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 mt -60.61 -41.29 94.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.565 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 60.7 mt -60.65 -46.62 95.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.612 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.4 m -61.14 -40.73 94.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.599 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 tp -60.52 -43.88 96.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.64 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.1 m -65.84 -39.28 90.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.539 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 76.3 t -64.09 -32.73 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.553 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.16 -44.41 53.69 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.417 ' CE2' HD11 ' A' ' 18' ' ' ILE . 62.6 t80 -69.96 -33.03 71.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.753 0.311 . . . . 0.0 110.515 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.26 -37.9 63.12 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 57.1 mt -69.42 -36.08 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.8 0.334 . . . . 0.0 110.498 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.11 -39.65 90.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.494 179.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.417 HD11 ' CE2' ' A' ' 14' ' ' PHE . 76.6 mt -64.08 -42.28 95.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.576 179.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -62.55 -44.97 95.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.575 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 t -64.82 -43.75 92.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.542 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.5 tt -55.84 -39.4 71.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.636 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 64.7 mt -66.74 -39.8 84.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.565 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.6 t -68.33 -40.14 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.562 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.3 m -68.42 -30.8 69.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.551 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -67.56 -47.53 69.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.567 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 80.8 m -62.18 -36.83 83.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.547 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.4 mt -68.94 -46.59 78.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.522 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -52.16 -38.42 57.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.607 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.32 -52.49 22.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.534 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -52.77 -22.27 5.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.509 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.94 -48.88 7.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.573 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -61.84 -22.47 65.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.574 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.4 p -53.77 -19.31 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.49 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 81.1 mt -74.1 -49.98 21.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.522 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -77.2 -8.65 57.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.531 -178.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.7 mt -102.58 -76.7 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.583 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.409 ' O ' ' O ' ' A' ' 38' ' ' PRO . . . -93.4 159.33 35.37 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.595 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.409 ' O ' ' O ' ' A' ' 37' ' ' ALA . 65.1 Cg_exo -38.53 162.61 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.8 2.333 . . . . 0.0 112.144 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -102.48 148.54 25.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.541 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.54 ' CD ' ' N ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -107.79 164.65 14.31 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.518 179.537 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -42.63 134.44 5.06 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.807 2.338 . . . . 0.0 112.141 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.1 -39.47 2.83 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.69 57.31 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.72 0.295 . . . . 0.0 110.533 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.2 t -93.19 133.89 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.527 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -44.0 132.02 5.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.539 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 10.5 t80 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.597 179.693 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 t -63.66 -52.49 60.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.518 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -56.95 -36.65 70.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.641 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -64.63 -55.72 18.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.4 mt -57.71 -35.52 70.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.666 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.06 -48.18 82.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.378 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.7 mp -57.09 -42.4 80.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.212 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.6 mm -62.07 -38.72 81.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.448 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 49.2 m -58.22 -48.09 81.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.253 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 mp -63.68 -37.81 88.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.57 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.3 m -62.74 -53.43 54.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.403 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.3 t -57.29 -33.7 44.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.923 0.392 . . . . 0.0 110.852 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.57 -45.62 52.45 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -70.34 -30.94 68.03 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.851 0.358 . . . . 0.0 110.165 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.18 -37.82 63.48 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 56.9 mt -70.69 -36.3 64.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.941 0.401 . . . . 0.0 110.664 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.9 tp -65.16 -47.35 77.33 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.856 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mm -59.32 -41.48 84.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.593 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -65.04 -42.49 94.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.37 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.56 -39.44 91.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.654 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 tt -59.51 -41.71 90.54 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 120.725 0.298 . . . . 0.0 110.64 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 88.2 mt -66.24 -37.46 79.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.789 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.4 t -63.54 -51.92 64.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.482 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 94.5 m -60.35 -32.28 71.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.393 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -65.74 -46.93 77.0 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.361 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.7 m -57.04 -36.93 71.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.189 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.0 mm -72.47 -54.6 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.709 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -48.16 -43.7 31.79 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.605 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.57 -49.64 74.47 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.99 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.8 mmtm -59.48 -27.35 66.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.805 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.49 -21.88 26.75 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.132 0.492 . . . . 0.0 110.926 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -82.8 -24.94 33.16 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.11 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.0 t -66.51 -25.82 36.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.485 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.537 ' N ' ' CD2' ' A' ' 34' ' ' LEU . 3.7 mm? -93.99 -56.29 2.92 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 121.131 0.491 . . . . 0.0 110.971 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -79.46 31.59 0.23 Allowed 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.125 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.45 ' H ' ' C ' ' A' ' 34' ' ' LEU . 50.5 mt -39.73 -91.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.381 179.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.97 162.19 48.15 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.577 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -41.63 156.29 0.07 OUTLIER 'Trans proline' 0 C--N 1.309 -1.54 0 C-N-CA 122.872 2.381 . . . . 0.0 112.155 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -91.21 140.64 29.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.63 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -92.22 149.92 39.36 Favored Pre-proline 0 N--CA 1.45 -0.471 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.851 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.91 -60.25 0.12 Allowed 'Trans proline' 0 C--N 1.309 -1.545 0 C-N-CA 122.759 2.306 . . . . 0.0 112.439 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.86 56.88 3.18 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -170.45 27.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.816 0.341 . . . . 0.0 110.551 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.7 t -93.95 124.15 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.641 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.3 p -84.3 151.7 24.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.562 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.62 -179.95 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.48 -40.63 80.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.543 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -64.0 -29.9 71.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.382 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.13 -49.66 41.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.447 179.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.7 mt -57.86 -34.42 69.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.561 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -71.37 -35.19 71.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.537 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 tp -63.6 -41.75 98.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.399 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 34.9 mt -65.66 -48.14 83.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.671 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.5 m -57.15 -43.76 82.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.411 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -64.06 -41.18 97.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.3 m -59.96 -46.87 88.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.525 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 87.1 t -61.66 -33.97 59.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.779 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.51 -43.65 76.38 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -71.42 -31.49 67.3 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.837 0.351 . . . . 0.0 110.165 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.33 -37.51 59.04 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.641 -0.983 . . . . 0.0 110.641 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 49.5 mt -68.61 -35.93 72.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.888 0.375 . . . . 0.0 110.306 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.1 -46.03 82.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.628 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.3 mm -61.47 -40.09 85.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.637 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -61.89 -46.69 88.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.599 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.4 p -65.58 -41.2 93.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.619 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.0 tt -55.29 -42.12 73.23 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.358 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 93.3 mt -64.32 -41.81 93.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.586 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 78.4 t -66.83 -47.53 82.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.505 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.5 m -62.06 -32.71 73.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.485 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -65.51 -49.0 70.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.567 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 91.0 m -62.59 -32.91 73.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.631 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 74.4 mt -70.93 -44.15 76.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.597 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.413 ' O ' ' OD1' ' A' ' 32' ' ' ASP . 1.6 m120 -54.16 -44.49 71.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.449 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.76 -44.03 87.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.635 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.8 mmtm -63.13 -25.18 68.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.61 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.79 -22.59 23.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.703 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 28' ' ' ASN . 4.1 m-20 -84.59 -19.64 32.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.877 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 99.4 t -72.12 -24.13 22.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.429 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.51 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 7.7 mp -98.12 -55.2 2.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.707 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.419 ' O ' ' O ' ' A' ' 36' ' ' ILE . 49.1 m-85 -79.63 29.58 0.25 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.836 179.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.455 ' H ' ' C ' ' A' ' 34' ' ' LEU . 76.2 mt -40.6 -93.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.461 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.93 161.25 38.89 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.514 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -70.75 149.09 60.02 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.924 2.416 . . . . 0.0 112.021 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -98.83 137.76 36.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.62 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.51 162.13 21.4 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.618 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -70.81 113.65 3.61 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.814 2.343 . . . . 0.0 111.936 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.49 -14.29 32.81 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.65 105.63 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.808 0.337 . . . . 0.0 110.577 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.0 t -66.16 121.4 15.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.498 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.84 120.4 5.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.552 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 56.2 t80 . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.932 -1.032 . . . . 0.0 110.568 -179.887 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.41 ' C ' ' H ' ' A' ' 3' ' ' LYS . . . . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.1 -4.83 2.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.537 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.41 ' H ' ' C ' ' A' ' 1' ' ' ALA . 11.7 mtmt -59.76 -33.48 71.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.562 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.38 -56.27 22.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.519 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 84.4 mt -58.7 -35.33 72.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.569 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -64.9 -43.09 93.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.536 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.69 -42.71 99.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.538 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.8 mt -65.18 -36.38 77.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.541 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 89.9 m -67.19 -42.26 84.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.627 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.65 -43.03 94.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.517 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.3 m -58.94 -49.77 76.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.514 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.0 t -64.78 -32.83 59.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.558 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.21 -45.15 50.87 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -69.76 -32.0 70.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.833 0.349 . . . . 0.0 110.618 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.48 -36.84 69.05 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.0 mt -71.67 -36.85 60.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.763 0.316 . . . . 0.0 110.473 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.19 -42.66 96.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.565 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.5 mm -63.05 -42.76 97.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.587 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.44 -41.13 93.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.6 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.5 m -68.09 -37.82 81.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.626 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.5 tt -60.43 -40.76 92.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.497 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.0 -39.24 77.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.642 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 89.3 t -68.49 -43.46 83.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.581 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.3 m -64.21 -31.98 73.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.654 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -69.86 -43.77 71.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.569 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.0 m -63.54 -30.44 71.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.503 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.3 mt -75.58 -44.78 40.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.547 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -59.21 -34.94 72.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.541 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.14 -49.84 16.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.537 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.3 mtpt -60.73 -20.31 60.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.517 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.25 -12.79 31.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.536 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -56.11 -35.46 67.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.6 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.5 t -67.84 -26.84 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.568 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.562 ' N ' ' CD2' ' A' ' 34' ' ' LEU . 3.7 mm? -81.37 -32.02 33.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.492 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -79.78 -18.72 50.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.604 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.6 mt -96.7 -71.84 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.605 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.85 159.49 65.9 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.577 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -68.11 -168.81 0.22 Allowed 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.793 2.328 . . . . 0.0 112.087 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.2 mtm180 -95.94 119.68 34.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.482 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -106.66 160.73 25.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.592 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -39.19 111.03 0.11 Allowed 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.796 2.331 . . . . 0.0 112.118 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.35 -23.55 9.68 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.39 144.8 19.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.812 0.339 . . . . 0.0 110.548 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 87.2 t -96.08 126.95 48.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.514 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 30.3 p -59.58 109.17 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.524 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.582 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.487 ' H ' ' H ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.487 ' H ' ' H ' ' A' ' 1' ' ' ALA . 42.3 t -53.61 -52.98 58.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.565 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.55 -41.26 97.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.775 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -61.4 -45.17 95.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.685 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.7 mt -68.23 -44.52 75.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.488 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -59.55 -40.06 86.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.3 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mt -60.56 -45.07 95.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.588 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 65.3 mt -56.79 -50.61 74.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.7 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 86.7 m -59.3 -44.98 92.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.518 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -58.93 -45.11 91.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.597 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.1 m -60.17 -53.73 54.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.366 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.4 t -60.59 -27.12 39.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.106 0.479 . . . . 0.0 110.549 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.59 -50.12 27.14 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -66.15 -31.71 72.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.877 0.37 . . . . 0.0 110.034 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.5 -38.58 44.07 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.7 mm -64.69 -38.85 83.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.094 0.473 . . . . 0.0 110.601 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.15 -49.87 58.24 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.611 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.5 mm -55.55 -41.7 65.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.62 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -65.5 -44.52 86.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.55 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 t -64.42 -37.09 86.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.4 tp -64.12 -40.0 95.24 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 120.859 0.361 . . . . 0.0 110.579 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.412 ' O ' ' SG ' ' A' ' 26' ' ' CYS . 88.7 mt -67.97 -31.39 51.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.186 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.8 t -72.56 -46.93 53.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.634 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 94.9 m -64.84 -31.7 73.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.61 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -69.14 -50.63 46.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.824 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 22' ' ' ILE . 68.3 m -57.12 -33.79 67.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.47 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 65.8 mt -70.05 -44.65 78.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.412 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.561 HD21 ' N ' ' A' ' 28' ' ' ASN . 0.8 OUTLIER -61.29 -24.71 66.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.455 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.23 -41.98 16.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.726 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -67.4 -19.22 65.37 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.624 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.75 -10.02 54.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.782 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -81.05 -11.65 59.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.713 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 69.4 t -90.06 -16.99 8.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.303 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.539 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 7.6 mp -96.08 -57.3 2.38 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 121.137 0.494 . . . . 0.0 110.806 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.572 ' O ' ' N ' ' A' ' 37' ' ' ALA . 53.3 m-85 -85.63 6.25 28.25 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.317 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.8 mt 59.05 -68.45 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 O-C-N 123.918 0.761 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.572 ' N ' ' O ' ' A' ' 35' ' ' PHE . . . -97.85 159.36 31.1 Favored Pre-proline 0 C--N 1.315 -0.926 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.834 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -66.49 154.92 72.55 Favored 'Trans proline' 0 C--N 1.31 -1.487 0 C-N-CA 122.877 2.385 . . . . 0.0 112.052 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -112.67 148.98 33.53 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.533 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -60.93 153.46 65.17 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.61 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.52 -67.31 0.04 OUTLIER 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.575 2.183 . . . . 0.0 112.191 179.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.443 ' C ' ' H ' ' A' ' 44' ' ' VAL . . . 52.15 24.2 14.54 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 48.68 15.17 0.08 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.748 0.308 . . . . 0.0 110.495 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.443 ' H ' ' C ' ' A' ' 42' ' ' GLY . 90.2 t -60.1 129.57 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.401 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.8 t -88.6 133.19 34.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.463 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.719 179.779 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 4' ' ' GLU . . . . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.1 m -38.15 -32.53 0.07 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.562 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -64.35 -47.46 79.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.54 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 1' ' ' ALA . 25.8 mt-10 -60.15 -40.72 90.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.416 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.517 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 3.9 mm? -64.51 -37.21 86.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.749 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -62.65 -44.83 95.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.45 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.7 -50.01 75.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.601 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 81.0 mt -58.33 -44.13 87.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.394 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.3 m -56.55 -52.88 63.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.592 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 mt -56.47 -43.81 79.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.651 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 43.5 m -61.87 -47.93 82.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.498 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.03 -34.34 56.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.997 0.427 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.45 -50.48 31.82 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -64.56 -32.42 74.06 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.878 0.371 . . . . 0.0 110.108 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.47 -37.31 58.57 Favored Glycine 0 CA--C 1.52 0.358 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mm -69.58 -37.24 74.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.115 0.483 . . . . 0.0 110.742 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mt -64.48 -43.93 92.61 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.558 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.4 mm -62.52 -40.22 87.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.54 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.8 t80 -66.01 -45.38 81.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.542 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.86 -37.61 86.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.743 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.34 -39.14 92.13 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 120.845 0.355 . . . . 0.0 110.445 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 64.9 mt -65.26 -40.21 87.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.548 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 67.7 t -67.68 -50.9 56.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.399 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.471 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 99.4 m -56.23 -32.06 64.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.418 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -66.37 -52.61 45.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.619 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.4 m -55.94 -31.41 62.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.593 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 80.8 mt -72.91 -45.73 54.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.529 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.471 ' ND2' ' O ' ' A' ' 24' ' ' THR . 44.7 m-80 -57.16 -36.08 70.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.551 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.66 -50.86 22.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.73 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -56.99 -27.3 61.38 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.621 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.61 -11.82 55.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.032 0.444 . . . . 0.0 110.797 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -59.89 -32.25 70.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.619 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -66.83 -29.73 47.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.389 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.546 ' N ' ' CD2' ' A' ' 34' ' ' LEU . 3.6 mm? -77.79 -33.82 52.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.331 0.586 . . . . 0.0 110.765 -179.559 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -79.71 -22.17 43.7 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.66 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.1 mt -92.35 -76.29 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.551 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.59 161.85 13.27 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.581 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_exo -39.8 148.24 0.16 Allowed 'Trans proline' 0 C--N 1.309 -1.531 0 C-N-CA 122.661 2.241 . . . . 0.0 112.16 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.8 mtt85 -95.59 144.46 26.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.603 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.472 ' C ' ' H ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -106.96 162.17 20.54 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.668 -179.911 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -70.2 16.29 0.24 Allowed 'Trans proline' 0 C--N 1.308 -1.592 0 C-N-CA 122.651 2.234 . . . . 0.0 112.105 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.472 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . 50.5 21.81 4.9 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 44.15 43.95 6.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.922 0.391 . . . . 0.0 110.654 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 72.0 t -88.68 110.84 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.495 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.85 148.58 25.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.452 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.085 -0.959 . . . . 0.0 110.5 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.543 ' C ' ' H ' ' A' ' 3' ' ' LYS . . . . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.51 -2.13 0.19 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.558 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.543 ' H ' ' C ' ' A' ' 1' ' ' ALA . 12.6 ptmt -52.58 -37.13 57.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.563 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.59 -49.42 48.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.528 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.1 mt -58.58 -32.02 68.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.539 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -71.03 -44.03 66.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.496 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 tp -62.06 -38.96 90.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.552 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.59 -44.39 93.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.601 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.7 m -59.36 -41.63 89.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.593 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.84 -40.69 98.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.517 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.7 m -65.09 -40.64 94.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.576 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.4 t -61.78 -36.58 74.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.598 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.87 -46.77 51.17 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -68.79 -30.5 69.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.77 0.319 . . . . 0.0 110.544 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.0 -35.63 61.21 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.2 mt -73.43 -34.24 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.786 0.326 . . . . 0.0 110.567 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.14 -46.61 86.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.531 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 86.0 mt -62.82 -39.56 85.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.603 179.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -64.84 -44.28 90.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.518 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.9 p -68.49 -34.37 75.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.612 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 tt -62.54 -40.78 97.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.566 179.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 74.4 mt -66.05 -38.0 81.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.625 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.6 t -64.15 -49.99 78.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.572 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 52.0 m -62.96 -34.18 76.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.529 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -64.69 -47.9 76.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.534 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 88.4 m -59.0 -36.86 75.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.4 mm -63.78 -57.72 10.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.525 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -50.46 -37.82 40.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.618 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.25 -55.65 20.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.547 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.6 mmtt -48.31 -34.74 11.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.445 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.42 -35.45 63.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.618 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -78.8 -4.65 50.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.617 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.5 t -97.49 -40.84 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.546 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.493 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 9.5 mp -93.43 -55.51 3.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.513 179.154 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.43 ' O ' ' C ' ' A' ' 36' ' ' ILE . 40.4 m-85 -83.61 31.9 0.47 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.533 -179.617 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 35' ' ' PHE . 29.1 mt -36.75 -88.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.637 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.65 161.88 10.23 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.661 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -70.6 -170.86 0.48 Allowed 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.828 2.352 . . . . 0.0 112.198 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.0 mtp180 -78.53 118.62 20.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.551 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.11 161.59 22.36 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.522 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -39.12 138.61 0.61 Allowed 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.812 2.341 . . . . 0.0 112.139 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.77 -49.05 1.2 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.41 -18.53 63.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.811 0.339 . . . . 0.0 110.561 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.4 t -74.62 102.74 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.598 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -51.26 157.03 1.02 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.629 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.599 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 p 47.22 19.45 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.516 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.1 tttm -61.28 -41.79 97.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.576 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -60.77 -51.49 69.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.628 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.9 mt -57.87 -43.88 86.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.513 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -64.47 -39.88 94.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.57 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 tt -61.44 -46.99 87.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.54 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 91.0 mt -60.78 -39.87 83.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.431 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.5 m -57.32 -50.73 71.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.509 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 mp -56.36 -41.74 76.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.547 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 95.2 m -58.75 -47.27 85.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.547 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.5 t -66.77 -29.33 46.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.999 0.428 . . . . 0.0 110.881 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.88 -45.19 34.53 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -72.71 -32.07 65.46 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.975 0.417 . . . . 0.0 109.925 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.72 -36.81 75.83 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.0 mm -71.94 -35.13 53.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.14 0.495 . . . . 0.0 110.699 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 mt -63.96 -41.29 97.61 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.553 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mm -67.05 -39.21 82.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.458 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -62.11 -46.68 87.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.297 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 71.8 p -67.5 -44.0 79.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.051 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.29 -41.31 68.75 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 120.959 0.409 . . . . 0.0 110.333 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 54.6 mt -65.85 -39.92 86.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.719 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.3 t -69.92 -43.45 79.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.61 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.418 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 59.5 m -63.55 -31.96 73.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.266 179.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -65.5 -51.21 61.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.369 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 94.8 m -61.08 -37.22 81.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.428 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.402 HD12 HG23 ' A' ' 27' ' ' ILE . 79.2 mt -67.91 -46.8 81.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.605 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.418 ' OD1' ' O ' ' A' ' 24' ' ' THR . 22.9 m120 -54.16 -38.89 66.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.575 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.19 -47.79 72.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.749 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -62.23 -25.02 67.58 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.409 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.02 -39.19 17.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.733 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -60.07 -30.67 69.38 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.83 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.5 t -55.12 -18.9 4.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.585 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.8 mt -74.77 -47.19 32.3 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.113 0.482 . . . . 0.0 111.007 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -77.86 -11.26 59.87 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.66 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.0 mt -100.78 -74.78 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.325 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.12 161.67 25.43 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.705 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -70.36 164.87 33.56 Favored 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 122.785 2.324 . . . . 0.0 112.306 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -63.81 148.59 48.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.519 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -55.13 148.23 31.02 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.653 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -68.61 3.19 2.38 Favored 'Trans proline' 0 N--CA 1.494 1.554 0 C-N-CA 122.456 2.104 . . . . 0.0 112.246 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 58.63 10.18 7.75 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 63.78 175.32 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.721 0.296 . . . . 0.0 110.659 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 98.7 t -49.87 98.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.575 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 37.1 p -90.73 115.32 27.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.577 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 34.3 p90 . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 117.929 -1.034 . . . . 0.0 110.503 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t -51.34 -54.89 21.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.496 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -59.78 -44.45 93.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.546 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -55.93 -47.89 76.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.999 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.0 mt -66.08 -44.75 83.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.639 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -54.6 -43.38 72.11 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.412 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 mp -61.34 -46.13 91.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.699 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.0 mm -63.6 -39.4 85.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.715 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.3 m -63.93 -44.56 92.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.765 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.93 -41.23 97.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.824 -179.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.6 m -63.16 -48.32 78.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.739 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.9 t -67.39 -24.12 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.815 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.47 -47.78 20.71 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -76.74 -32.35 57.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.805 0.336 . . . . 0.0 110.733 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.68 -36.12 82.05 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.5 mm -72.62 -40.86 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 110.72 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.02 -44.4 91.72 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.548 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mm -64.99 -39.44 85.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.642 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -61.89 -46.27 90.13 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.517 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.5 p -66.75 -40.52 88.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.635 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 53.3 tp -59.91 -39.17 84.5 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.564 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 67.7 mt -67.34 -37.28 78.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.557 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.4 t -68.53 -46.57 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.291 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.4 m -61.87 -31.64 71.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.394 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -66.58 -49.54 66.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.421 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 59.3 m -59.59 -33.54 71.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.556 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 59.5 mt -69.38 -45.72 78.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.624 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.6 -41.69 66.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.649 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.29 -43.67 85.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.585 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -61.68 -30.67 70.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.484 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.79 -19.78 27.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.7 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -79.79 -21.24 44.57 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.49 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.4 t -73.25 -20.39 18.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.444 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.536 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 7.5 mp -96.42 -56.36 2.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.923 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.417 ' O ' ' C ' ' A' ' 36' ' ' ILE . 39.5 m-85 -80.8 30.61 0.31 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.434 ' H ' ' C ' ' A' ' 34' ' ' LEU . 59.4 mt -35.59 -90.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.535 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.6 159.96 83.26 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.673 179.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -66.9 171.66 10.8 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.715 2.277 . . . . 0.0 112.168 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -63.76 121.53 14.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.689 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -50.53 152.87 3.01 Favored Pre-proline 0 N--CA 1.453 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.716 -179.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -65.64 -15.1 47.97 Favored 'Trans proline' 0 C--N 1.308 -1.577 0 C-N-CA 122.75 2.3 . . . . 0.0 112.274 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.51 -38.97 3.06 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 61.58 123.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.815 0.34 . . . . 0.0 110.485 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 42.4 t -79.64 136.67 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.66 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.23 146.79 50.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.616 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 63.6 t80 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.556 179.898 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 p -61.02 -35.56 77.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.622 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -71.1 -35.83 71.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.585 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -66.75 -47.2 73.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.578 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 mt -60.34 -34.72 74.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.541 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -65.99 -53.09 43.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.567 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.8 mt -58.82 -42.63 89.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.544 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.3 mm -54.44 -52.33 40.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.65 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.3 m -64.59 -41.89 95.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.505 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.08 -45.63 71.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.549 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 51.5 m -63.94 -46.97 82.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.537 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.437 ' O ' ' CG1' ' A' ' 16' ' ' ILE . 67.6 t -61.45 -27.4 41.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.544 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.76 -48.57 21.36 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -72.57 -32.73 66.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.744 0.307 . . . . 0.0 110.568 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.35 -35.85 59.86 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.437 ' CG1' ' O ' ' A' ' 12' ' ' VAL . 3.2 mm -70.7 -38.29 72.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.759 0.314 . . . . 0.0 110.532 179.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.39 -48.41 81.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.538 179.617 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 89.7 mt -59.91 -41.92 87.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.527 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.76 -46.64 88.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.596 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.81 -45.7 91.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.585 179.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.3 tp -55.95 -40.23 72.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.509 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.3 mm -63.55 -38.6 82.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.563 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.7 t -68.24 -44.83 83.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.595 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.0 m -64.58 -30.93 71.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.566 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -70.62 -48.05 57.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.506 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 90.7 m -60.72 -36.6 79.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.511 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.4 mt -66.11 -47.17 85.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.543 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -60.31 -43.28 96.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.558 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.81 -41.58 87.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.567 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.1 mmmt -69.28 -28.98 66.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.616 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.54 -21.84 38.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.56 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.545 ' O ' ' N ' ' A' ' 36' ' ' ILE . 80.9 m-20 -80.22 -36.98 34.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.56 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 90.6 t -53.18 -24.75 8.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.554 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.497 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 9.0 mp -96.25 -56.36 2.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.539 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.635 ' O ' ' N ' ' A' ' 37' ' ' ALA . 53.8 m-85 -80.53 10.89 4.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.624 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.545 ' N ' ' O ' ' A' ' 32' ' ' ASP . 11.2 mt 56.67 -72.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.602 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.635 ' N ' ' O ' ' A' ' 35' ' ' PHE . . . -99.39 160.36 27.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.65 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -67.82 -167.02 0.15 Allowed 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.836 2.357 . . . . 0.0 112.094 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 39' ' ' ARG . 26.7 ptt-85 -115.98 120.93 40.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.61 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -53.91 154.53 7.23 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.448 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.1 102.79 0.69 Allowed 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.759 2.306 . . . . 0.0 112.096 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.63 13.01 61.83 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.07 113.69 0.41 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.861 0.363 . . . . 0.0 110.628 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 51.5 t -75.86 128.94 37.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.547 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.7 m -69.01 114.23 7.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.609 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.491 ' OXT' ' CG ' ' A' ' 46' ' ' TYR . 42.2 t80 . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.94 -1.029 . . . . 0.0 110.607 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.405 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 0.9 OUTLIER 75.4 -55.29 0.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.506 -179.734 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.73 -41.8 67.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.508 179.621 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -66.67 -45.2 79.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.613 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 mt -62.55 -38.3 89.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.509 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -60.13 -43.83 95.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.6 179.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 mt -61.78 -53.53 54.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.641 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 59.2 mt -55.91 -37.41 47.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.657 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 59.1 m -62.58 -48.36 79.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.5 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.43 -42.49 91.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.51 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.8 m -63.94 -43.54 95.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.581 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 56.0 t -63.48 -34.33 66.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.571 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.68 -45.49 52.57 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -68.51 -30.85 69.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.838 0.351 . . . . 0.0 110.579 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.47 -35.41 59.68 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.6 mt -70.13 -37.02 70.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.816 0.341 . . . . 0.0 110.608 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -67.34 -45.45 76.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.534 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.5 mm -60.71 -39.06 80.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.61 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -66.94 -44.65 80.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.563 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 t -64.02 -42.03 97.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.614 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 tt -56.6 -42.23 78.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.563 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 71.9 mt -64.86 -38.58 83.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.613 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.7 t -64.07 -48.16 87.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.582 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 80.7 m -63.05 -31.94 73.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.553 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -70.8 -50.37 36.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.557 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 98.3 m -56.62 -34.27 67.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.545 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 54.2 mt -68.19 -46.06 81.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.606 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -56.58 -38.5 72.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.547 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.19 -45.37 73.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.529 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.3 mmtt -63.3 -28.11 69.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.616 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.42 -16.59 32.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.581 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.559 ' C ' ' H ' ' A' ' 34' ' ' LEU . 9.8 m-20 -74.63 -49.7 20.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.406 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.423 ' O ' ' CG1' ' A' ' 33' ' ' VAL . 65.1 t -51.59 -7.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.558 179.646 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.559 ' H ' ' C ' ' A' ' 32' ' ' ASP . 8.5 mp -101.39 -55.87 2.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.544 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -80.14 -4.34 52.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.624 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.499 ' CG2' ' H ' ' A' ' 37' ' ' ALA . 43.5 mm -116.01 -118.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.535 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.499 ' H ' ' CG2' ' A' ' 36' ' ' ILE . . . -53.46 162.64 1.17 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.616 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_exo -39.86 153.02 0.06 OUTLIER 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.86 2.373 . . . . 0.0 112.081 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.2 mtt85 -79.61 134.41 36.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.557 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -84.6 151.39 58.55 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.609 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.38 -4.74 12.41 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.776 2.317 . . . . 0.0 112.195 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.48 0.22 29.36 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 59.52 18.95 7.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.337 . . . . 0.0 110.592 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 69.7 t -56.18 138.11 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.572 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 76.1 p -41.97 151.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.53 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.4 t80 . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.938 -1.029 . . . . 0.0 110.518 179.927 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.513 ' C ' ' H ' ' A' ' 3' ' ' LYS . . . . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.417 ' O ' ' OE1' ' A' ' 6' ' ' GLU . 0.1 OUTLIER -59.51 -2.98 0.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.66 -179.798 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.513 ' H ' ' C ' ' A' ' 1' ' ' ALA . 10.1 mttp -66.57 -34.23 77.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.632 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.44 ' CG ' ' N ' ' A' ' 5' ' ' LEU . 7.7 pt-20 -69.72 -42.4 74.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.543 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.44 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 9.7 mt -63.38 -39.98 95.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.443 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.538 ' OE1' ' N ' ' A' ' 6' ' ' GLU . 1.3 mp0 -67.03 -42.39 84.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.536 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.28 -45.48 80.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.598 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 67.9 mt -60.86 -46.56 96.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.663 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 59.5 m -62.07 -45.24 94.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.547 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 tp -60.24 -44.54 95.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.494 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.4 m -61.0 -43.85 98.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.382 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.2 t -71.37 -22.22 22.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.078 0.466 . . . . 0.0 110.709 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.48 -41.82 43.21 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -74.98 -32.1 61.59 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.9 0.381 . . . . 0.0 110.112 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.19 -37.6 48.45 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.656 -0.978 . . . . 0.0 110.656 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.2 mm -69.19 -39.73 79.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.118 0.485 . . . . 0.0 110.586 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 tp -65.16 -42.44 93.73 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.337 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mm -61.26 -39.67 83.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.644 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -64.51 -44.41 91.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.527 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.21 -39.92 86.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.737 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 tt -57.46 -40.67 78.99 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 120.884 0.374 . . . . 0.0 110.515 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 57.3 mt -66.81 -40.05 85.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.742 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.7 -49.94 59.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.502 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.3 m -57.42 -31.88 66.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.413 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -67.34 -49.21 65.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.609 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 80.8 m -58.56 -33.08 69.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.417 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 17.2 mt -74.75 -40.65 47.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.662 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -59.53 -30.5 68.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.586 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.85 -49.0 15.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.635 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt -64.54 -19.69 65.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.554 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.69 -13.42 32.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.191 0.519 . . . . 0.0 110.615 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -58.02 -26.25 62.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.516 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.8 t -71.19 -28.36 32.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.747 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.551 ' N ' ' CD2' ' A' ' 34' ' ' LEU . 3.6 mm? -79.28 -33.3 43.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.332 0.587 . . . . 0.0 110.88 -179.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -79.64 -23.24 42.7 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.7 mt -93.89 -74.52 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.599 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.97 161.93 58.11 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.53 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -39.32 145.71 0.21 Allowed 'Trans proline' 0 C--N 1.31 -1.453 0 C-N-CA 122.827 2.351 . . . . 0.0 112.18 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.4 ptt-85 -107.62 130.55 54.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.596 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.63 160.02 27.44 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.493 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -64.69 -179.77 1.06 Allowed 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.767 2.311 . . . . 0.0 112.002 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 43' ' ' ALA . . . 116.64 28.24 2.57 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 42' ' ' GLY . . . 42.71 94.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.717 0.294 . . . . 0.0 110.453 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.436 ' O ' ' O ' ' A' ' 45' ' ' SER . 51.7 t -122.41 135.79 61.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.56 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 44' ' ' VAL . 12.7 p 41.19 94.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.651 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.9 t80 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.592 179.981 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 p 64.1 5.31 2.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.672 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.9 tttt -63.63 -28.34 69.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.454 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -59.81 -53.35 58.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.734 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.8 mt -67.64 -41.05 84.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.711 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 73.5 tt0 -53.96 -42.86 69.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.522 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.91 -49.19 68.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.532 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 97.3 mt -59.01 -37.02 65.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.475 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.1 m -65.37 -47.17 77.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.467 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 mp -59.49 -36.16 75.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.419 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 43.6 m -68.33 -47.11 68.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.512 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 56.1 t -57.08 -37.83 57.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.063 0.459 . . . . 0.0 110.777 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.62 -42.75 87.47 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -67.25 -33.12 74.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.994 0.426 . . . . 0.0 109.911 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.97 -34.86 58.41 Favored Glycine 0 N--CA 1.463 0.494 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.8 mt -70.26 -34.64 59.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.94 0.4 . . . . 0.0 110.494 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 tp -66.8 -42.85 85.27 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.678 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 90.0 mt -63.06 -38.73 82.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.538 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.23 -46.12 74.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.062 0.458 . . . . 0.0 110.555 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 p -63.53 -35.9 82.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.511 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.4 tp -63.46 -42.17 98.62 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-O 120.912 0.387 . . . . 0.0 110.348 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.3 mt -66.4 -31.47 53.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.602 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.9 t -68.26 -51.71 45.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.463 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 47.3 m -63.85 -32.3 73.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.454 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -65.71 -50.85 63.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.406 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 92.2 m -58.48 -32.74 69.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.423 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 85.9 mt -71.74 -44.27 68.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.659 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -64.45 -35.58 81.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.575 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.44 -49.35 49.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.8 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -59.77 -26.2 65.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.506 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.93 -22.37 59.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.966 0.412 . . . . 0.0 110.789 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -83.42 -7.2 59.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.889 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 48.1 t -102.97 -29.42 2.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.334 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.512 ' N ' ' CD2' ' A' ' 34' ' ' LEU . 3.8 mm? -94.55 -56.84 2.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.29 0.566 . . . . 0.0 111.431 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -83.35 30.1 0.48 Allowed 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.037 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.5 mt -40.59 -88.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.543 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.48 161.77 58.15 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.66 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -68.2 176.07 5.96 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 122.798 2.332 . . . . 0.0 112.183 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.6 mtp180 -93.87 139.26 31.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.415 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.488 ' CD ' ' N ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -107.38 162.98 17.97 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.576 -179.733 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -42.88 121.31 2.19 Favored 'Trans proline' 0 C--N 1.311 -1.405 0 C-N-CA 122.838 2.358 . . . . 0.0 112.159 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 48.52 48.42 28.23 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.88 136.41 6.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.841 0.353 . . . . 0.0 110.561 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.0 t -100.11 113.67 36.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.622 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.81 156.82 0.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.579 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.222 -0.382 0 CA-C-O 117.957 -1.02 . . . . 0.0 110.592 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.1 m -56.31 -47.59 78.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.435 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.42 -38.31 86.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.529 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.98 -49.76 76.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.656 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 mt -62.76 -40.47 97.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.439 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -58.09 -45.26 87.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.497 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mp -64.69 -46.84 80.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.543 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.1 mt -56.03 -39.35 57.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.596 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.9 m -66.03 -42.78 89.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.383 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.3 mt -63.37 -36.79 84.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.429 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 51.1 m -65.87 -49.1 69.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.659 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.9 t -60.73 -26.5 38.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.906 0.384 . . . . 0.0 110.947 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.37 -45.22 31.08 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 111.281 -0.728 . . . . 0.0 111.281 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -75.31 -31.19 60.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.085 0.469 . . . . 0.0 110.142 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.54 -37.75 58.06 Favored Glycine 0 CA--C 1.519 0.299 0 N-CA-C 110.594 -1.003 . . . . 0.0 110.594 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.2 mm -69.37 -41.39 80.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.057 0.456 . . . . 0.0 110.648 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.08 -48.38 81.94 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.657 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.6 mm -60.14 -39.55 80.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.047 0.451 . . . . 0.0 110.3 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -62.72 -47.5 83.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.239 0.542 . . . . 0.0 110.317 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.4 -41.09 98.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.704 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 tt -57.0 -41.68 78.88 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-O 120.877 0.37 . . . . 0.0 110.448 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 90.5 mt -62.5 -39.17 83.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.651 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.8 t -71.85 -41.41 69.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.439 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.6 m -63.56 -31.98 73.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.389 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -72.3 -42.24 65.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.338 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 88.0 m -60.9 -36.16 78.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.292 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.4 mt -66.14 -49.34 77.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.557 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -53.45 -39.54 64.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.004 0.431 . . . . 0.0 110.475 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.33 -46.6 72.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.71 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -62.39 -25.77 68.11 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.55 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.22 -26.06 22.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.195 0.521 . . . . 0.0 110.671 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -68.84 -34.24 75.15 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.535 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.3 t -62.18 -13.97 11.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.792 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.535 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 7.8 mp -96.71 -46.75 6.16 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.298 0.57 . . . . 0.0 110.905 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -79.58 -34.64 40.68 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.64 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.9 mm -94.52 23.98 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.535 0.683 . . . . 0.0 109.485 -179.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.0 162.11 7.78 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.296 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -71.44 164.19 36.56 Favored 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 122.556 2.171 . . . . 0.0 112.137 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.3 ptp180 -82.5 149.14 27.72 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.362 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.481 ' CD ' ' N ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -112.1 160.73 28.92 Favored Pre-proline 0 CA--C 1.529 0.166 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.667 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -40.62 -54.99 2.11 Favored 'Trans proline' 0 C--N 1.31 -1.488 0 C-N-CA 122.598 2.199 . . . . 0.0 112.304 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 95.39 -43.83 2.18 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -179.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.523 ' O ' ' CG2' ' A' ' 44' ' ' VAL . . . 60.78 106.69 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 118.938 -0.553 . . . . 0.0 110.191 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.523 ' CG2' ' O ' ' A' ' 43' ' ' ALA . 96.3 t 115.48 102.43 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 O-C-N 125.117 1.511 . . . . 0.0 110.348 179.048 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.88 114.39 21.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.915 0.388 . . . . 0.0 110.571 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.086 -0.959 . . . . 0.0 110.621 -179.964 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.777 0.322 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 68.1 mt -55.7 -45.78 79.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.606 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.8 m -63.89 -43.53 95.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.406 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.44 -47.69 81.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.466 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.9 m -58.27 -50.49 73.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.648 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.7 t -61.09 -32.04 51.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.91 -40.8 51.12 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.841 ' CE2' HD11 ' A' ' 18' ' ' ILE . 65.5 t80 -72.32 -31.41 65.65 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.33 -36.36 63.33 Favored Glycine 0 CA--C 1.52 0.358 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.438 ' O ' ' OG ' ' A' ' 20' ' ' SER . 44.6 mt -70.45 -36.02 64.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.307 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 mp -65.26 -41.75 93.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.629 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.841 HD11 ' CE2' ' A' ' 14' ' ' PHE . 78.5 mt -62.53 -41.27 91.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.412 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.684 ' O ' HG23 ' A' ' 23' ' ' VAL . 18.5 t80 -62.68 -44.24 96.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.406 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -66.49 -41.35 89.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.38 -40.27 77.81 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 120.882 0.372 . . . . 0.0 110.551 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 30.9 mt -69.64 -34.6 62.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.677 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 19' ' ' PHE . 61.5 t -70.81 -50.29 44.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.457 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 88.1 m -63.22 -34.95 78.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.643 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -63.34 -48.63 77.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.507 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 79.6 m -58.45 -36.52 73.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.273 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.596 -179.908 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.927 0.394 . . . . 0.0 110.6 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 24.8 mt -65.32 -36.3 77.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.664 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 59.2 m -62.98 -47.12 84.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.506 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 tp -59.4 -37.99 79.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.517 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.5 m -60.01 -53.95 51.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.592 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.6 t -60.27 -31.45 48.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.534 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.22 -46.57 57.09 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -70.61 -31.01 67.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.974 0.416 . . . . 0.0 110.378 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.97 -36.33 73.01 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 48.6 mt -72.56 -36.52 54.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.568 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tp -63.79 -44.14 94.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.563 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.6 mm -62.76 -41.67 93.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.745 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.446 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -64.62 -46.32 83.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.589 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -61.83 -41.3 97.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.542 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 tt -58.86 -39.89 82.7 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 120.851 0.358 . . . . 0.0 110.59 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.6 mm -64.81 -36.84 78.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.695 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 19' ' ' PHE . 58.4 t -65.19 -49.12 80.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.43 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 53.7 m -64.15 -31.61 72.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.554 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -68.35 -51.05 48.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.622 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 67.2 m -58.24 -33.55 69.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.49 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 67.7 mt . . . . . 0 C--N 1.333 -0.151 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.528 179.851 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 tp . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.84 0.353 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 65.2 mt -62.79 -46.35 96.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.523 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 80.7 m -57.55 -47.77 81.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.402 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 mt -56.67 -47.69 79.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.574 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.8 m -56.95 -48.42 78.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.349 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.6 t -58.36 -34.8 51.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.963 0.411 . . . . 0.0 110.964 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.2 -43.06 48.68 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.757 ' CE2' HD11 ' A' ' 18' ' ' ILE . 44.6 t80 -69.57 -32.57 71.42 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.0 -38.18 74.17 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 110.639 -0.984 . . . . 0.0 110.639 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.1 mt -68.98 -33.53 59.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.94 0.4 . . . . 0.0 110.341 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 tp -65.47 -42.68 92.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.311 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.757 HD11 ' CE2' ' A' ' 14' ' ' PHE . 94.1 mt -62.58 -39.8 85.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.307 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.449 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -63.76 -46.85 83.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.348 179.884 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 t -64.54 -39.27 93.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.697 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.16 -39.43 86.38 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 120.801 0.334 . . . . 0.0 110.383 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 74.6 mt -67.32 -36.45 76.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.75 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 19' ' ' PHE . 61.7 t -71.65 -44.33 69.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.528 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 93.1 m -62.96 -31.56 72.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.473 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -71.06 -45.0 64.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.492 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 82.6 m -59.22 -35.72 74.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.4 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 71.8 mt . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.535 179.86 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 mm? . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 120.788 0.328 . . . . 0.0 110.671 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 97.9 mt -61.63 -37.83 78.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.471 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.2 m -64.24 -44.8 90.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.531 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 mt -62.25 -37.34 85.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.617 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 46.6 m -63.92 -48.94 74.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.535 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 92.1 t -66.46 -29.85 47.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.777 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.65 -43.03 45.1 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -73.72 -31.05 63.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.841 0.353 . . . . 0.0 110.224 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.68 -38.3 61.28 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 61.4 mt -70.18 -38.04 73.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.907 0.384 . . . . 0.0 110.505 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mp -63.43 -42.47 98.7 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.565 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.4 mm -62.54 -39.79 85.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.389 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.1 -47.26 87.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.445 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.78 -40.62 83.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.652 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.9 tt -52.7 -45.5 66.91 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 120.821 0.343 . . . . 0.0 110.445 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.0 mt -65.21 -41.25 91.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.491 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 50.4 t -63.3 -46.89 94.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.661 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.3 m -64.96 -33.99 77.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.621 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.407 ' CD1' ' C ' ' A' ' 25' ' ' TYR . 31.6 t80 -68.21 -48.45 65.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.541 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 64.3 m -59.49 -32.96 70.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.431 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.9 mm . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.551 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 tp . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.73 0.3 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.5 mm -59.08 -47.47 89.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.0 m -60.72 -45.77 92.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.494 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -57.18 -43.85 83.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.701 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.8 m -63.18 -45.56 91.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.606 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.99 -31.78 52.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.759 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.33 -45.49 30.19 Favored Glycine 0 CA--C 1.521 0.406 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -66.91 -32.06 73.07 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.95 -38.09 56.17 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.394 -1.082 . . . . 0.0 110.394 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 48.8 mt -70.65 -37.92 71.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.3 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.46 -42.68 99.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.2 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.2 mm -64.48 -37.22 79.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.875 0.369 . . . . 0.0 110.194 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.652 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -69.94 -45.06 68.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.71 179.697 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.12 -36.14 82.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.842 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 tt -66.49 -39.56 88.81 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 120.775 0.322 . . . . 0.0 110.763 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 70.0 mt -67.55 -33.3 61.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.468 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 19' ' ' PHE . 61.8 t -68.0 -45.14 84.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.387 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.1 m -66.02 -31.66 72.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.438 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -66.73 -46.28 75.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.478 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 97.2 m -60.74 -39.91 90.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.529 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 72.1 mt . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.37 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.75 0.31 . . . . 0.0 110.568 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.476 ' O ' HG23 ' A' ' 12' ' ' VAL . 63.1 mt -66.26 -39.52 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.556 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 58.1 m -62.49 -48.41 79.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.498 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.99 -45.62 75.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.499 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.6 m -65.15 -46.34 81.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.591 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 8' ' ' ILE . 79.2 t -61.66 -30.49 48.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.642 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.7 -46.61 30.16 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.78 ' CE2' HD11 ' A' ' 18' ' ' ILE . 59.0 t80 -68.6 -31.81 71.25 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.877 0.37 . . . . 0.0 110.159 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.87 -35.63 61.64 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.5 mm -69.85 -37.12 72.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.129 0.49 . . . . 0.0 110.766 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.68 -44.44 93.7 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.442 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.78 HD11 ' CE2' ' A' ' 14' ' ' PHE . 86.9 mt -59.78 -42.77 89.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.453 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.51 -45.42 94.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.578 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.6 m -64.39 -43.03 95.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.654 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.1 tt -56.35 -41.26 75.81 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 120.83 0.348 . . . . 0.0 110.42 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.4 mt -64.13 -39.17 84.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.629 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.2 t -64.5 -50.62 75.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.593 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 88.1 m -64.3 -32.39 73.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.463 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -67.87 -44.59 76.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.556 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 74.8 m -63.24 -31.38 72.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.543 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.0 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.591 179.775 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.805 0.336 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.405 ' O ' HG23 ' A' ' 12' ' ' VAL . 60.7 mt -60.65 -46.62 95.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.612 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.4 m -61.14 -40.73 94.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.599 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 tp -60.52 -43.88 96.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.64 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.1 m -65.84 -39.28 90.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.539 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 8' ' ' ILE . 76.3 t -64.09 -32.73 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.553 179.347 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.16 -44.41 53.69 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.88 ' CE2' HD11 ' A' ' 18' ' ' ILE . 62.6 t80 -69.96 -33.03 71.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.753 0.311 . . . . 0.0 110.515 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.26 -37.9 63.12 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 57.1 mt -69.42 -36.08 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.8 0.334 . . . . 0.0 110.498 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.11 -39.65 90.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.494 179.417 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.88 HD11 ' CE2' ' A' ' 14' ' ' PHE . 76.6 mt -64.08 -42.28 95.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.576 179.425 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -62.55 -44.97 95.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.575 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 t -64.82 -43.75 92.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.542 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.5 tt -55.84 -39.4 71.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.636 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 64.7 mt -66.74 -39.8 84.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.565 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.6 t -68.33 -40.14 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.562 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.3 m -68.42 -30.8 69.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.551 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -67.56 -47.53 69.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.567 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 80.8 m -62.18 -36.83 83.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.547 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.4 mt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.522 179.823 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.7 mp . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.867 0.365 . . . . 0.0 110.212 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.6 mm -62.07 -38.72 81.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.448 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 49.2 m -58.22 -48.09 81.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.253 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 mp -63.68 -37.81 88.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.57 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.3 m -62.74 -53.43 54.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.403 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.3 t -57.29 -33.7 44.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.923 0.392 . . . . 0.0 110.852 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.57 -45.62 52.45 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.484 ' CZ ' HD11 ' A' ' 18' ' ' ILE . 78.6 t80 -70.34 -30.94 68.03 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.851 0.358 . . . . 0.0 110.165 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.18 -37.82 63.48 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 56.9 mt -70.69 -36.3 64.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.941 0.401 . . . . 0.0 110.664 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.9 tp -65.16 -47.35 77.33 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.856 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.484 HD11 ' CZ ' ' A' ' 14' ' ' PHE . 3.8 mm -59.32 -41.48 84.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.593 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.553 ' O ' HG23 ' A' ' 23' ' ' VAL . 82.0 t80 -65.04 -42.49 94.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.37 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.56 -39.44 91.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.654 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 tt -59.51 -41.71 90.54 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 120.725 0.298 . . . . 0.0 110.64 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 88.2 mt -66.24 -37.46 79.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.789 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 19' ' ' PHE . 95.4 t -63.54 -51.92 64.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.482 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 94.5 m -60.35 -32.28 71.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.393 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -65.74 -46.93 77.0 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.361 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.7 m -57.04 -36.93 71.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.189 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.0 mm . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.709 -179.825 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 tp . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.803 0.335 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 34.9 mt -65.66 -48.14 83.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.671 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.5 m -57.15 -43.76 82.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.411 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -64.06 -41.18 97.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.3 m -59.96 -46.87 88.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.525 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 87.1 t -61.66 -33.97 59.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.779 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.51 -43.65 76.38 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -71.42 -31.49 67.3 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.837 0.351 . . . . 0.0 110.165 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.33 -37.51 59.04 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.641 -0.983 . . . . 0.0 110.641 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 49.5 mt -68.61 -35.93 72.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.888 0.375 . . . . 0.0 110.306 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.1 -46.03 82.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.628 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.3 mm -61.47 -40.09 85.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.637 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -61.89 -46.69 88.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.599 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.4 p -65.58 -41.2 93.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.619 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.0 tt -55.29 -42.12 73.23 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.358 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 93.3 mt -64.32 -41.81 93.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.586 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 78.4 t -66.83 -47.53 82.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.505 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.5 m -62.06 -32.71 73.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.485 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -65.51 -49.0 70.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.567 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 91.0 m -62.59 -32.91 73.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.631 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 74.4 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.597 179.849 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.769 0.319 . . . . 0.0 110.538 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.8 mt -65.18 -36.38 77.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.541 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 89.9 m -67.19 -42.26 84.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.627 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.65 -43.03 94.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.517 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.3 m -58.94 -49.77 76.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.514 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.0 t -64.78 -32.83 59.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.558 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.21 -45.15 50.87 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -69.76 -32.0 70.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.833 0.349 . . . . 0.0 110.618 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.48 -36.84 69.05 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.0 mt -71.67 -36.85 60.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.763 0.316 . . . . 0.0 110.473 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.19 -42.66 96.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.565 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.5 mm -63.05 -42.76 97.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.587 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.527 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -65.44 -41.13 93.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.6 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.5 m -68.09 -37.82 81.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.626 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.5 tt -60.43 -40.76 92.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.497 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.0 -39.24 77.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.642 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 19' ' ' PHE . 89.3 t -68.49 -43.46 83.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.581 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.3 m -64.21 -31.98 73.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.654 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -69.86 -43.77 71.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.569 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.0 m -63.54 -30.44 71.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.503 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.3 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.547 179.943 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.86 0.362 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 65.3 mt -56.79 -50.61 74.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.7 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 86.7 m -59.3 -44.98 92.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.518 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -58.93 -45.11 91.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.597 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.1 m -60.17 -53.73 54.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.366 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.4 t -60.59 -27.12 39.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.106 0.479 . . . . 0.0 110.549 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.59 -50.12 27.14 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.405 ' CZ ' HD11 ' A' ' 18' ' ' ILE . 89.9 t80 -66.15 -31.71 72.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.877 0.37 . . . . 0.0 110.034 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.5 -38.58 44.07 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.7 mm -64.69 -38.85 83.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.094 0.473 . . . . 0.0 110.601 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.15 -49.87 58.24 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.611 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.405 HD11 ' CZ ' ' A' ' 14' ' ' PHE . 3.5 mm -55.55 -41.7 65.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.62 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.618 ' O ' HG23 ' A' ' 23' ' ' VAL . 2.0 m-85 -65.5 -44.52 86.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.55 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 t -64.42 -37.09 86.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.4 tp -64.12 -40.0 95.24 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 120.859 0.361 . . . . 0.0 110.579 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 88.7 mt -67.97 -31.39 51.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.186 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 19' ' ' PHE . 58.8 t -72.56 -46.93 53.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.634 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 94.9 m -64.84 -31.7 73.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.61 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -69.14 -50.63 46.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.824 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 68.3 m -57.12 -33.79 67.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.47 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 65.8 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.412 179.896 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.796 0.332 . . . . 0.0 110.601 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 81.0 mt -58.33 -44.13 87.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.394 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.3 m -56.55 -52.88 63.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.592 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 mt -56.47 -43.81 79.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.651 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 43.5 m -61.87 -47.93 82.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.498 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.03 -34.34 56.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.997 0.427 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.45 -50.48 31.82 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -64.56 -32.42 74.06 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.878 0.371 . . . . 0.0 110.108 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.47 -37.31 58.57 Favored Glycine 0 CA--C 1.52 0.358 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mm -69.58 -37.24 74.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.115 0.483 . . . . 0.0 110.742 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mt -64.48 -43.93 92.61 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.558 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.4 mm -62.52 -40.22 87.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.54 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.8 t80 -66.01 -45.38 81.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.542 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.86 -37.61 86.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.743 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.34 -39.14 92.13 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 120.845 0.355 . . . . 0.0 110.445 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 64.9 mt -65.26 -40.21 87.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.548 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 67.7 t -67.68 -50.9 56.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.399 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.4 m -56.23 -32.06 64.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.418 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -66.37 -52.61 45.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.619 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.4 m -55.94 -31.41 62.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.593 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 80.8 mt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.529 179.987 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.768 0.318 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.644 ' O ' HG23 ' A' ' 12' ' ' VAL . 96.6 mt -65.59 -44.39 93.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.601 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.7 m -59.36 -41.63 89.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.593 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.84 -40.69 98.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.517 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.7 m -65.09 -40.64 94.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.576 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 8' ' ' ILE . 58.4 t -61.78 -36.58 74.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.598 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.87 -46.77 51.17 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.731 ' CE2' HD11 ' A' ' 18' ' ' ILE . 61.3 t80 -68.79 -30.5 69.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.77 0.319 . . . . 0.0 110.544 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.0 -35.63 61.21 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.2 mt -73.43 -34.24 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.786 0.326 . . . . 0.0 110.567 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.14 -46.61 86.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.531 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.731 HD11 ' CE2' ' A' ' 14' ' ' PHE . 86.0 mt -62.82 -39.56 85.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.603 179.369 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -64.84 -44.28 90.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.518 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.9 p -68.49 -34.37 75.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.612 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 tt -62.54 -40.78 97.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.566 179.366 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 74.4 mt -66.05 -38.0 81.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.625 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.6 t -64.15 -49.99 78.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.572 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 52.0 m -62.96 -34.18 76.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.529 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -64.69 -47.9 76.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.534 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 88.4 m -59.0 -36.86 75.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.4 mm . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.525 179.963 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 tt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.883 0.373 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.547 ' O ' HG23 ' A' ' 12' ' ' VAL . 91.0 mt -60.78 -39.87 83.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.431 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.5 m -57.32 -50.73 71.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.509 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 mp -56.36 -41.74 76.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.547 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 95.2 m -58.75 -47.27 85.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.547 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 8' ' ' ILE . 21.5 t -66.77 -29.33 46.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.999 0.428 . . . . 0.0 110.881 -179.575 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.88 -45.19 34.53 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -72.71 -32.07 65.46 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.975 0.417 . . . . 0.0 109.925 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.72 -36.81 75.83 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.0 mm -71.94 -35.13 53.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.14 0.495 . . . . 0.0 110.699 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 mt -63.96 -41.29 97.61 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.553 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mm -67.05 -39.21 82.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.458 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -62.11 -46.68 87.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.297 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 71.8 p -67.5 -44.0 79.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.051 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.29 -41.31 68.75 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 120.959 0.409 . . . . 0.0 110.333 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 54.6 mt -65.85 -39.92 86.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.719 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.3 t -69.92 -43.45 79.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.61 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.5 m -63.55 -31.96 73.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.266 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -65.5 -51.21 61.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.369 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 94.8 m -61.08 -37.22 81.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.428 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 79.2 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.605 -179.964 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 mp . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.73 0.3 . . . . 0.0 110.699 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.0 mm -63.6 -39.4 85.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.715 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.3 m -63.93 -44.56 92.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.765 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.93 -41.23 97.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.824 -179.687 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.6 m -63.16 -48.32 78.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.739 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.9 t -67.39 -24.12 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.815 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.47 -47.78 20.71 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -76.74 -32.35 57.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.805 0.336 . . . . 0.0 110.733 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.68 -36.12 82.05 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.5 mm -72.62 -40.86 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 110.72 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.02 -44.4 91.72 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.548 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mm -64.99 -39.44 85.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.642 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.49 ' O ' HG23 ' A' ' 23' ' ' VAL . 58.6 t80 -61.89 -46.27 90.13 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.517 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.5 p -66.75 -40.52 88.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.635 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 21' ' ' LEU . 53.3 tp -59.91 -39.17 84.5 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.564 -179.646 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 67.7 mt -67.34 -37.28 78.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.557 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 19' ' ' PHE . 91.4 t -68.53 -46.57 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.291 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.4 m -61.87 -31.64 71.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.394 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -66.58 -49.54 66.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.421 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 59.3 m -59.59 -33.54 71.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.556 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 59.5 mt . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.624 -179.827 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.8 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.759 0.314 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.424 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.3 mm -54.44 -52.33 40.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.65 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.3 m -64.59 -41.89 95.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.505 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.513 HD23 ' O ' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -54.08 -45.63 71.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.549 179.809 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 51.5 m -63.94 -46.97 82.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.537 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.437 ' O ' ' CG1' ' A' ' 16' ' ' ILE . 67.6 t -61.45 -27.4 41.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.544 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.76 -48.57 21.36 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.733 ' CE2' HD11 ' A' ' 18' ' ' ILE . 74.1 t80 -72.57 -32.73 66.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.744 0.307 . . . . 0.0 110.568 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.35 -35.85 59.86 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.437 ' CG1' ' O ' ' A' ' 12' ' ' VAL . 3.2 mm -70.7 -38.29 72.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.759 0.314 . . . . 0.0 110.532 179.321 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.39 -48.41 81.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.538 179.617 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.733 HD11 ' CE2' ' A' ' 14' ' ' PHE . 89.7 mt -59.91 -41.92 87.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.527 179.617 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.76 -46.64 88.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.596 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.81 -45.7 91.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.585 179.682 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.3 tp -55.95 -40.23 72.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.509 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.3 mm -63.55 -38.6 82.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.563 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.7 t -68.24 -44.83 83.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.595 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.0 m -64.58 -30.93 71.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.566 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -70.62 -48.05 57.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.506 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 90.7 m -60.72 -36.6 79.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.511 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.4 mt . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.543 -179.989 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 mt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.885 0.374 . . . . 0.0 110.641 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.406 ' O ' HG23 ' A' ' 12' ' ' VAL . 59.2 mt -55.91 -37.41 47.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.657 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 59.1 m -62.58 -48.36 79.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.5 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.43 -42.49 91.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.51 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.8 m -63.94 -43.54 95.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.581 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 8' ' ' ILE . 56.0 t -63.48 -34.33 66.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.571 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.68 -45.49 52.57 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -68.51 -30.85 69.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.838 0.351 . . . . 0.0 110.579 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.47 -35.41 59.68 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.6 mt -70.13 -37.02 70.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.816 0.341 . . . . 0.0 110.608 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 17' ' ' LEU . 2.2 mm? -67.34 -45.45 76.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.534 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.5 mm -60.71 -39.06 80.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.61 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -66.94 -44.65 80.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.563 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 t -64.02 -42.03 97.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.614 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 tt -56.6 -42.23 78.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.563 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 71.9 mt -64.86 -38.58 83.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.613 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.7 t -64.07 -48.16 87.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.582 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 80.7 m -63.05 -31.94 73.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.553 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -70.8 -50.37 36.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.557 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 98.3 m -56.62 -34.27 67.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.545 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 54.2 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.606 -179.801 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.702 0.287 . . . . 0.0 110.598 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.404 ' O ' HG23 ' A' ' 12' ' ' VAL . 67.9 mt -60.86 -46.56 96.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.663 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 59.5 m -62.07 -45.24 94.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.547 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 tp -60.24 -44.54 95.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.494 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.4 m -61.0 -43.85 98.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.382 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 8' ' ' ILE . 95.2 t -71.37 -22.22 22.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.078 0.466 . . . . 0.0 110.709 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.48 -41.82 43.21 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -74.98 -32.1 61.59 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.9 0.381 . . . . 0.0 110.112 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.19 -37.6 48.45 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.656 -0.978 . . . . 0.0 110.656 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.2 mm -69.19 -39.73 79.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.118 0.485 . . . . 0.0 110.586 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 tp -65.16 -42.44 93.73 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.337 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mm -61.26 -39.67 83.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.644 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -64.51 -44.41 91.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.527 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.21 -39.92 86.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.737 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 tt -57.46 -40.67 78.99 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 120.884 0.374 . . . . 0.0 110.515 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 57.3 mt -66.81 -40.05 85.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.742 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.7 -49.94 59.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.502 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.3 m -57.42 -31.88 66.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.413 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -67.34 -49.21 65.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.609 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 80.8 m -58.56 -33.08 69.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.417 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 17.2 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.662 179.915 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 120.893 0.378 . . . . 0.0 110.532 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.745 ' O ' HG23 ' A' ' 12' ' ' VAL . 97.3 mt -59.01 -37.02 65.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.475 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.1 m -65.37 -47.17 77.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.467 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 mp -59.49 -36.16 75.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.419 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 43.6 m -68.33 -47.11 68.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.512 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 8' ' ' ILE . 56.1 t -57.08 -37.83 57.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.063 0.459 . . . . 0.0 110.777 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.62 -42.75 87.47 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.696 ' CE2' HD11 ' A' ' 18' ' ' ILE . 71.6 t80 -67.25 -33.12 74.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.994 0.426 . . . . 0.0 109.911 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.97 -34.86 58.41 Favored Glycine 0 N--CA 1.463 0.494 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.8 mt -70.26 -34.64 59.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.94 0.4 . . . . 0.0 110.494 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 tp -66.8 -42.85 85.27 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.678 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.696 HD11 ' CE2' ' A' ' 14' ' ' PHE . 90.0 mt -63.06 -38.73 82.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.538 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.23 -46.12 74.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.062 0.458 . . . . 0.0 110.555 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 p -63.53 -35.9 82.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.511 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.4 tp -63.46 -42.17 98.62 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-O 120.912 0.387 . . . . 0.0 110.348 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.3 mt -66.4 -31.47 53.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.602 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.9 t -68.26 -51.71 45.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.463 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 47.3 m -63.85 -32.3 73.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.454 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -65.71 -50.85 63.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.406 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 92.2 m -58.48 -32.74 69.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.423 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 85.9 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.659 -179.91 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.822 0.344 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.1 mt -56.03 -39.35 57.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.596 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.9 m -66.03 -42.78 89.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.383 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.3 mt -63.37 -36.79 84.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.429 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 51.1 m -65.87 -49.1 69.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.659 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.9 t -60.73 -26.5 38.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.906 0.384 . . . . 0.0 110.947 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.37 -45.22 31.08 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 111.281 -0.728 . . . . 0.0 111.281 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -75.31 -31.19 60.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.085 0.469 . . . . 0.0 110.142 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.54 -37.75 58.06 Favored Glycine 0 CA--C 1.519 0.299 0 N-CA-C 110.594 -1.003 . . . . 0.0 110.594 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.2 mm -69.37 -41.39 80.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.057 0.456 . . . . 0.0 110.648 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.08 -48.38 81.94 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.657 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.6 mm -60.14 -39.55 80.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.047 0.451 . . . . 0.0 110.3 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -62.72 -47.5 83.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.239 0.542 . . . . 0.0 110.317 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.4 -41.09 98.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.704 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 tt -57.0 -41.68 78.88 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-O 120.877 0.37 . . . . 0.0 110.448 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 90.5 mt -62.5 -39.17 83.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.651 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.8 t -71.85 -41.41 69.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.439 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.6 m -63.56 -31.98 73.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.389 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -72.3 -42.24 65.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.338 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 88.0 m -60.9 -36.16 78.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.292 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.4 mt . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.557 179.962 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.02 -41.47 97.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.632 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.8 mmmt -61.0 -47.88 84.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.5 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -54.4 -45.59 72.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.463 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.0 mt -64.94 -43.41 92.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.545 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -56.7 -45.23 81.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.513 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.33 -49.43 77.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.613 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 68.1 mt -55.7 -45.78 79.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.606 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.8 m -63.89 -43.53 95.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.406 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.44 -47.69 81.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.466 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.9 m -58.27 -50.49 73.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.648 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.7 t -61.09 -32.04 51.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.91 -40.8 51.12 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.841 ' CE2' HD11 ' A' ' 18' ' ' ILE . 65.5 t80 -72.32 -31.41 65.65 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.33 -36.36 63.33 Favored Glycine 0 CA--C 1.52 0.358 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.438 ' O ' ' OG ' ' A' ' 20' ' ' SER . 44.6 mt -70.45 -36.02 64.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.307 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 mp -65.26 -41.75 93.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.629 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.841 HD11 ' CE2' ' A' ' 14' ' ' PHE . 78.5 mt -62.53 -41.27 91.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.412 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.684 ' O ' HG23 ' A' ' 23' ' ' VAL . 18.5 t80 -62.68 -44.24 96.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.406 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -66.49 -41.35 89.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.38 -40.27 77.81 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 120.882 0.372 . . . . 0.0 110.551 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 30.9 mt -69.64 -34.6 62.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.677 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 19' ' ' PHE . 61.5 t -70.81 -50.29 44.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.457 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 88.1 m -63.22 -34.95 78.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.643 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -63.34 -48.63 77.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.507 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 79.6 m -58.45 -36.52 73.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.273 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.1 mt -70.26 -43.11 78.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.596 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -52.37 -41.34 63.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.543 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.598 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -71.26 -43.88 66.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.791 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.452 ' O ' HD13 ' A' ' 34' ' ' LEU . 20.6 mttm -60.73 -22.87 64.45 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.517 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.03 -32.65 17.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.999 0.428 . . . . 0.0 110.915 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -71.73 -21.67 61.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.796 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 29' ' ' ALA . 88.9 t -72.18 -18.8 19.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.436 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.654 HD12 ' N ' ' A' ' 34' ' ' LEU . 8.2 mp -101.62 -55.69 2.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.129 0.49 . . . . 0.0 110.968 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.415 ' O ' ' O ' ' A' ' 36' ' ' ILE . 41.7 m-85 -79.98 26.7 0.33 Allowed 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.058 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.516 HG22 ' N ' ' A' ' 37' ' ' ALA . 96.3 mt -38.97 -92.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.436 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.539 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -101.4 161.9 22.16 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.766 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.539 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 74.7 Cg_exo -40.16 144.3 0.4 Allowed 'Trans proline' 0 C--N 1.313 -1.333 0 C-N-CA 122.747 2.298 . . . . 0.0 112.293 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.407 ' HB3' HH11 ' A' ' 39' ' ' ARG . 0.0 OUTLIER -75.85 151.89 37.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.392 179.818 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.21 162.7 21.79 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.802 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -41.06 140.16 1.3 Allowed 'Trans proline' 0 C--N 1.31 -1.495 0 C-N-CA 122.669 2.246 . . . . 0.0 112.149 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.72 -37.19 3.87 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.22 154.23 1.72 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.769 0.319 . . . . 0.0 110.588 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 73.9 t -92.97 118.31 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.88 156.73 39.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.538 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 19.8 t80 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.594 179.957 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.3 m -57.76 -43.17 85.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.562 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -62.28 -47.36 84.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.523 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -55.53 -47.05 76.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.641 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.2 mt -59.91 -47.81 84.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.597 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -59.67 -41.07 89.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.634 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.62 -47.8 84.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.6 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 24.8 mt -65.32 -36.3 77.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.664 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 59.2 m -62.98 -47.12 84.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.506 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 tp -59.4 -37.99 79.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.517 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.5 m -60.01 -53.95 51.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.592 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.6 t -60.27 -31.45 48.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.534 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.22 -46.57 57.09 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -70.61 -31.01 67.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.974 0.416 . . . . 0.0 110.378 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.97 -36.33 73.01 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 48.6 mt -72.56 -36.52 54.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.568 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tp -63.79 -44.14 94.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.563 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.6 mm -62.76 -41.67 93.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.745 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.446 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -64.62 -46.32 83.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.589 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -61.83 -41.3 97.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.542 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 tt -58.86 -39.89 82.7 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 120.851 0.358 . . . . 0.0 110.59 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.6 mm -64.81 -36.84 78.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.695 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 19' ' ' PHE . 58.4 t -65.19 -49.12 80.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.43 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 53.7 m -64.15 -31.61 72.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.554 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -68.35 -51.05 48.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.622 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 67.2 m -58.24 -33.55 69.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.49 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 67.7 mt -70.7 -50.12 46.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.528 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.401 ' O ' ' OD2' ' A' ' 32' ' ' ASP . 42.4 m-20 -47.16 -48.27 23.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.007 0.432 . . . . 0.0 110.548 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.435 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -61.53 -52.14 65.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.686 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.8 mmtm -57.88 -21.85 45.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.513 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.13 -35.42 18.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.27 0.557 . . . . 0.0 110.704 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.455 ' C ' ' H ' ' A' ' 34' ' ' LEU . 52.4 m-20 -69.54 -29.38 66.96 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.804 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.566 ' O ' HG12 ' A' ' 33' ' ' VAL . 76.7 t -56.72 -6.91 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.328 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.665 HD12 ' N ' ' A' ' 34' ' ' LEU . 7.3 mp -92.27 -49.1 6.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.791 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -77.67 -3.32 40.43 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.697 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.76 HG22 ' N ' ' A' ' 37' ' ' ALA . 86.0 mt -108.5 -113.55 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.657 179.099 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.76 ' N ' HG22 ' A' ' 36' ' ' ILE . . . -99.19 161.64 24.06 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.641 -179.492 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.597 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 37.5 Cg_endo -70.17 -167.57 0.25 Allowed 'Trans proline' 0 C--N 1.3 -1.976 0 C-N-CA 122.983 2.456 . . . . 0.0 112.07 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -60.85 146.09 47.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.465 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.496 ' C ' ' H ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -114.82 162.12 25.47 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.647 -179.852 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -68.86 22.17 0.14 Allowed 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.807 2.338 . . . . 0.0 112.167 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.496 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . 70.38 -62.08 0.83 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 178.29 2.89 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.667 0.27 . . . . 0.0 110.546 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.3 t -131.17 120.59 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.467 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t -92.48 145.12 24.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.618 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 23.9 p90 . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.495 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.618 ' HB3' ' HG3' ' A' ' 4' ' ' GLU . . . . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 p -60.57 -40.07 90.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.503 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.82 -44.28 77.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.437 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.618 ' HG3' ' HB3' ' A' ' 1' ' ' ALA . 10.9 mt-10 -63.39 -44.54 94.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.526 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.9 mt -64.31 -35.78 81.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.687 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -65.92 -47.02 76.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.525 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 tp -57.94 -40.25 80.01 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.431 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 65.2 mt -62.79 -46.35 96.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.523 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 80.7 m -57.55 -47.77 81.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.402 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 mt -56.67 -47.69 79.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.574 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.8 m -56.95 -48.42 78.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.349 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.6 t -58.36 -34.8 51.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.963 0.411 . . . . 0.0 110.964 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.2 -43.06 48.68 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.757 ' CE2' HD11 ' A' ' 18' ' ' ILE . 44.6 t80 -69.57 -32.57 71.42 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.0 -38.18 74.17 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 110.639 -0.984 . . . . 0.0 110.639 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.1 mt -68.98 -33.53 59.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.94 0.4 . . . . 0.0 110.341 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 tp -65.47 -42.68 92.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.311 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.757 HD11 ' CE2' ' A' ' 14' ' ' PHE . 94.1 mt -62.58 -39.8 85.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.307 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.449 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -63.76 -46.85 83.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.348 179.884 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 t -64.54 -39.27 93.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.697 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.16 -39.43 86.38 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 120.801 0.334 . . . . 0.0 110.383 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 74.6 mt -67.32 -36.45 76.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.75 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 19' ' ' PHE . 61.7 t -71.65 -44.33 69.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.528 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 93.1 m -62.96 -31.56 72.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.473 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -71.06 -45.0 64.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.492 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 82.6 m -59.22 -35.72 74.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.4 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 71.8 mt -67.88 -46.58 81.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.535 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -56.0 -36.56 68.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.624 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.677 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -67.38 -45.66 75.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.692 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.9 mmtp -64.85 -20.76 66.58 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.536 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.16 -34.36 17.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.684 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.439 ' C ' ' H ' ' A' ' 34' ' ' LEU . 2.5 m-20 -69.16 -28.11 66.13 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.829 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 29' ' ' ALA . 65.3 t -60.24 -3.64 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.539 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.603 HD22 ' N ' ' A' ' 34' ' ' LEU . 3.7 mm? -94.14 -56.07 2.98 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 121.362 0.601 . . . . 0.0 110.98 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -80.22 -12.27 59.65 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.744 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.687 HG22 ' N ' ' A' ' 37' ' ' ALA . 40.8 mm -111.46 -123.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.466 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.687 ' N ' HG22 ' A' ' 36' ' ' ILE . . . -49.03 161.14 0.44 Allowed Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.485 -179.307 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.561 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 37.9 Cg_endo -69.12 175.53 7.45 Favored 'Trans proline' 0 C--N 1.308 -1.567 0 C-N-CA 122.7 2.267 . . . . 0.0 112.137 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.1 ptp85 -90.16 152.25 21.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.477 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.543 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 0.1 OUTLIER -102.81 155.45 36.54 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.52 -179.644 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.04 -41.45 22.67 Favored 'Trans proline' 0 N--CA 1.494 1.507 0 C-N-CA 122.792 2.328 . . . . 0.0 112.233 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.582 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . 66.96 4.76 29.25 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 42' ' ' GLY . . . 74.29 24.65 1.84 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.781 0.324 . . . . 0.0 110.496 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.0 t -91.34 91.88 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.552 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.9 122.64 47.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.607 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.522 -179.89 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 p -49.25 -39.05 28.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.54 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.1 mttm -67.41 -47.34 70.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.573 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -55.3 -41.85 72.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.541 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.6 mt -68.43 -41.99 79.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.557 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -60.23 -43.46 96.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.549 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -64.52 -48.37 75.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.671 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 97.9 mt -61.63 -37.83 78.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.471 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.2 m -64.24 -44.8 90.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.531 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 mt -62.25 -37.34 85.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.617 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 46.6 m -63.92 -48.94 74.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.535 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 92.1 t -66.46 -29.85 47.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.777 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.65 -43.03 45.1 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -73.72 -31.05 63.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.841 0.353 . . . . 0.0 110.224 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.68 -38.3 61.28 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 61.4 mt -70.18 -38.04 73.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.907 0.384 . . . . 0.0 110.505 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mp -63.43 -42.47 98.7 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.565 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.4 mm -62.54 -39.79 85.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.389 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.1 -47.26 87.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.445 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.78 -40.62 83.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.652 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.9 tt -52.7 -45.5 66.91 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 120.821 0.343 . . . . 0.0 110.445 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.0 mt -65.21 -41.25 91.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.491 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 50.4 t -63.3 -46.89 94.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.661 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.3 m -64.96 -33.99 77.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.621 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.407 ' CD1' ' C ' ' A' ' 25' ' ' TYR . 31.6 t80 -68.21 -48.45 65.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.541 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 64.3 m -59.49 -32.96 70.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.431 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.9 mm -67.52 -48.91 75.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.551 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.422 ' O ' ' OD2' ' A' ' 32' ' ' ASP . 79.7 m-20 -54.63 -38.57 67.0 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.357 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.14 -50.61 67.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.586 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.5 mttt -62.42 -18.72 62.33 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.454 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.66 -31.29 19.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.288 0.566 . . . . 0.0 110.648 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.422 ' OD2' ' O ' ' A' ' 28' ' ' ASN . 5.1 m-20 -73.76 -25.71 60.3 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.813 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.474 ' O ' HG12 ' A' ' 33' ' ' VAL . 37.8 t -63.52 -10.74 7.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.448 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.629 HD12 ' N ' ' A' ' 34' ' ' LEU . 6.2 mp -78.45 -51.1 10.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.072 0.463 . . . . 0.0 110.779 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -79.34 -12.89 59.92 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.991 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.716 HG22 ' N ' ' A' ' 37' ' ' ALA . 74.4 mt -104.49 -115.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.522 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.716 ' N ' HG22 ' A' ' 36' ' ' ILE . . . -48.02 162.07 0.34 Allowed Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.486 -179.617 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.564 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 68.1 Cg_exo -39.79 161.48 0.02 OUTLIER 'Trans proline' 0 C--N 1.31 -1.49 0 C-N-CA 122.802 2.335 . . . . 0.0 112.256 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.2 mtt85 -68.41 123.31 20.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.694 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -51.53 152.26 4.87 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.641 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -38.91 -41.63 1.8 Allowed 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 122.791 2.327 . . . . 0.0 112.299 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.55 -33.58 6.36 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -100.92 -108.33 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.81 0.338 . . . . 0.0 110.524 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.4 t -93.23 142.01 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.503 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.4 p -84.07 156.53 22.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.612 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 54.5 t80 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.533 -179.941 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.13 -46.51 80.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.587 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 50.4 mttt -55.81 -42.33 75.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.503 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.27 -50.03 73.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.839 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.1 mt -57.8 -45.84 85.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.6 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -57.11 -46.89 82.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.585 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 tp -62.13 -46.09 90.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.702 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.5 mm -59.08 -47.47 89.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.0 m -60.72 -45.77 92.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.494 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -57.18 -43.85 83.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.701 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.8 m -63.18 -45.56 91.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.606 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.99 -31.78 52.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.759 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.33 -45.49 30.19 Favored Glycine 0 CA--C 1.521 0.406 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -66.91 -32.06 73.07 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.95 -38.09 56.17 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.394 -1.082 . . . . 0.0 110.394 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 48.8 mt -70.65 -37.92 71.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.3 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.46 -42.68 99.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.2 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.2 mm -64.48 -37.22 79.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.875 0.369 . . . . 0.0 110.194 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.652 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -69.94 -45.06 68.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.71 179.697 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.12 -36.14 82.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.842 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 tt -66.49 -39.56 88.81 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 120.775 0.322 . . . . 0.0 110.763 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 70.0 mt -67.55 -33.3 61.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.468 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 19' ' ' PHE . 61.8 t -68.0 -45.14 84.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.387 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.1 m -66.02 -31.66 72.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.438 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -66.73 -46.28 75.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.478 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 97.2 m -60.74 -39.91 90.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.529 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 72.1 mt -65.79 -46.14 89.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.37 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -52.69 -40.63 63.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.407 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.558 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -68.36 -49.59 59.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.9 mttp -59.87 -28.02 67.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.639 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.36 -32.73 26.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.246 0.546 . . . . 0.0 110.814 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.472 ' C ' ' H ' ' A' ' 34' ' ' LEU . 5.9 m-20 -68.59 -28.92 67.36 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.761 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.621 ' O ' HG12 ' A' ' 33' ' ' VAL . 92.0 t -61.35 -0.58 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.682 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.472 ' H ' ' C ' ' A' ' 32' ' ' ASP . 91.7 mt -84.5 -57.32 3.19 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-O 121.306 0.574 . . . . 0.0 111.024 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -85.49 -15.42 42.93 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.227 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.724 HG22 ' N ' ' A' ' 37' ' ' ALA . 38.6 mm -102.17 -121.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.546 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.724 ' N ' HG22 ' A' ' 36' ' ' ILE . . . -48.41 161.17 0.4 Allowed Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.784 -179.19 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.552 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 55.9 Cg_exo -39.74 153.11 0.06 OUTLIER 'Trans proline' 0 C--N 1.311 -1.406 0 C-N-CA 122.695 2.263 . . . . 0.0 112.206 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -60.64 153.82 22.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.542 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.04 162.28 2.02 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.682 -179.66 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -40.58 -38.8 2.69 Favored 'Trans proline' 0 C--N 1.311 -1.417 0 C-N-CA 122.784 2.323 . . . . 0.0 112.191 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.72 29.7 15.27 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.657 ' O ' HG23 ' A' ' 44' ' ' VAL . . . 61.79 35.2 16.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 118.113 -0.946 . . . . 0.0 111.76 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 43' ' ' ALA . 84.3 t 114.88 120.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.298 0 O-C-N 125.123 1.515 . . . . 0.0 110.138 179.437 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.5 m -71.44 111.2 6.57 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.709 -0.397 . . . . 0.0 110.297 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 25.1 t80 . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 117.934 -1.032 . . . . 0.0 110.58 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 p -54.3 -36.89 64.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.389 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -63.67 -47.13 82.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.436 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -52.72 -50.68 62.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.458 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.6 mt -61.98 -43.81 98.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.555 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -61.22 -38.74 87.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.415 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.45 -42.97 99.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.568 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.476 ' O ' HG23 ' A' ' 12' ' ' VAL . 63.1 mt -66.26 -39.52 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.556 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 58.1 m -62.49 -48.41 79.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.498 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.99 -45.62 75.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.499 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.6 m -65.15 -46.34 81.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.591 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 8' ' ' ILE . 79.2 t -61.66 -30.49 48.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.642 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.7 -46.61 30.16 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.78 ' CE2' HD11 ' A' ' 18' ' ' ILE . 59.0 t80 -68.6 -31.81 71.25 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.877 0.37 . . . . 0.0 110.159 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.87 -35.63 61.64 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.5 mm -69.85 -37.12 72.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.129 0.49 . . . . 0.0 110.766 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.68 -44.44 93.7 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.442 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.78 HD11 ' CE2' ' A' ' 14' ' ' PHE . 86.9 mt -59.78 -42.77 89.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.453 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.51 -45.42 94.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.578 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.6 m -64.39 -43.03 95.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.654 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.1 tt -56.35 -41.26 75.81 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 120.83 0.348 . . . . 0.0 110.42 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.4 mt -64.13 -39.17 84.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.629 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.2 t -64.5 -50.62 75.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.593 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 88.1 m -64.3 -32.39 73.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.463 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -67.87 -44.59 76.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.556 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 74.8 m -63.24 -31.38 72.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.543 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.0 mt -71.65 -44.91 69.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.591 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -63.19 -28.42 70.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.614 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.22 -50.36 12.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.644 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.44 -21.3 65.31 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.7 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.4 -10.82 12.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.698 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -87.31 0.46 55.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.64 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.551 ' C ' HD22 ' A' ' 34' ' ' LEU . 45.6 t -99.62 -21.13 5.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.491 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.58 HD22 ' N ' ' A' ' 34' ' ' LEU . 3.8 mm? -101.94 -44.61 5.44 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.361 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.421 ' O ' ' O ' ' A' ' 36' ' ' ILE . 52.7 m-85 -80.35 11.55 3.53 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.124 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.578 HG22 ' N ' ' A' ' 37' ' ' ALA . 69.9 mt -38.05 -93.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.538 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.579 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -95.79 161.54 27.18 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.73 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.579 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 48.4 Cg_endo -71.03 144.26 46.83 Favored 'Trans proline' 0 C--N 1.308 -1.567 0 C-N-CA 122.742 2.294 . . . . 0.0 112.075 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.534 HH11 ' CG ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -62.35 105.33 0.6 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.58 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 43' ' ' ALA . 3.9 mm-40 -95.91 152.13 38.79 Favored Pre-proline 0 N--CA 1.451 -0.414 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.788 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -38.69 120.19 0.47 Allowed 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 123.008 2.472 . . . . 0.0 112.095 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.52 -32.1 2.38 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 40' ' ' GLU . . . 42.06 67.55 0.57 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.634 0.254 . . . . 0.0 110.554 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.2 t -116.25 110.13 30.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.648 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.6 m -43.64 112.04 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.561 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.238 -0.886 . . . . 0.0 110.593 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.64 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.91 -2.3 2.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.57 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 37.8 tttm -62.99 -39.49 94.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.543 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -60.43 -52.83 63.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.608 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 mt -58.19 -42.57 86.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.603 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -60.15 -48.67 80.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.563 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 mt -60.61 -41.29 94.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.565 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.405 ' O ' HG23 ' A' ' 12' ' ' VAL . 60.7 mt -60.65 -46.62 95.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.612 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.4 m -61.14 -40.73 94.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.599 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 tp -60.52 -43.88 96.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.64 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.1 m -65.84 -39.28 90.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.539 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 8' ' ' ILE . 76.3 t -64.09 -32.73 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.553 179.347 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.16 -44.41 53.69 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.88 ' CE2' HD11 ' A' ' 18' ' ' ILE . 62.6 t80 -69.96 -33.03 71.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.753 0.311 . . . . 0.0 110.515 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.26 -37.9 63.12 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 57.1 mt -69.42 -36.08 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.8 0.334 . . . . 0.0 110.498 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.11 -39.65 90.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.494 179.417 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.88 HD11 ' CE2' ' A' ' 14' ' ' PHE . 76.6 mt -64.08 -42.28 95.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.576 179.425 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -62.55 -44.97 95.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.575 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 t -64.82 -43.75 92.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.542 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.5 tt -55.84 -39.4 71.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.636 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 64.7 mt -66.74 -39.8 84.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.565 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.6 t -68.33 -40.14 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.562 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.3 m -68.42 -30.8 69.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.551 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -67.56 -47.53 69.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.567 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 80.8 m -62.18 -36.83 83.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.547 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.4 mt -68.94 -46.59 78.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.522 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -52.16 -38.42 57.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.607 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.32 -52.49 22.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.534 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.542 ' O ' HG12 ' A' ' 33' ' ' VAL . 76.9 mttt -52.77 -22.27 5.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.509 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.94 -48.88 7.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.573 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -61.84 -22.47 65.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.574 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.542 HG12 ' O ' ' A' ' 30' ' ' LYS . 3.4 p -53.77 -19.31 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.49 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 81.1 mt -74.1 -49.98 21.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.522 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -77.2 -8.65 57.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.531 -178.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.7 mt -102.58 -76.7 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.583 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.504 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -93.4 159.33 35.37 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.595 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.504 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 65.1 Cg_exo -38.53 162.61 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.8 2.333 . . . . 0.0 112.144 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -102.48 148.54 25.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.541 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.54 ' CD ' ' N ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -107.79 164.65 14.31 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.518 179.537 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -42.63 134.44 5.06 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.807 2.338 . . . . 0.0 112.141 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.1 -39.47 2.83 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.69 57.31 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.72 0.295 . . . . 0.0 110.533 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.2 t -93.19 133.89 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.527 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -44.0 132.02 5.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.539 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 10.5 t80 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.597 179.693 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 t -63.66 -52.49 60.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.518 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -56.95 -36.65 70.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.641 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -64.63 -55.72 18.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.4 mt -57.71 -35.52 70.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.666 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.06 -48.18 82.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.378 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.7 mp -57.09 -42.4 80.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.212 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.6 mm -62.07 -38.72 81.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.448 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 49.2 m -58.22 -48.09 81.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.253 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 mp -63.68 -37.81 88.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.57 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.3 m -62.74 -53.43 54.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.403 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.3 t -57.29 -33.7 44.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.923 0.392 . . . . 0.0 110.852 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.57 -45.62 52.45 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.484 ' CZ ' HD11 ' A' ' 18' ' ' ILE . 78.6 t80 -70.34 -30.94 68.03 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.851 0.358 . . . . 0.0 110.165 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.18 -37.82 63.48 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 56.9 mt -70.69 -36.3 64.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.941 0.401 . . . . 0.0 110.664 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.9 tp -65.16 -47.35 77.33 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.856 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.484 HD11 ' CZ ' ' A' ' 14' ' ' PHE . 3.8 mm -59.32 -41.48 84.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.593 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.553 ' O ' HG23 ' A' ' 23' ' ' VAL . 82.0 t80 -65.04 -42.49 94.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.37 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.56 -39.44 91.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.654 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 tt -59.51 -41.71 90.54 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 120.725 0.298 . . . . 0.0 110.64 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 88.2 mt -66.24 -37.46 79.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.789 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 19' ' ' PHE . 95.4 t -63.54 -51.92 64.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.482 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 94.5 m -60.35 -32.28 71.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.393 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -65.74 -46.93 77.0 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.361 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.7 m -57.04 -36.93 71.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.189 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.0 mm -72.47 -54.6 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.709 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -48.16 -43.7 31.79 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.605 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.688 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -62.57 -49.64 74.47 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.99 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.8 mmtm -59.48 -27.35 66.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.805 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.49 -21.88 26.75 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.132 0.492 . . . . 0.0 110.926 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -82.8 -24.94 33.16 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.11 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 29' ' ' ALA . 45.0 t -66.51 -25.82 36.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.485 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.614 HD22 ' N ' ' A' ' 34' ' ' LEU . 3.7 mm? -93.99 -56.29 2.92 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 121.131 0.491 . . . . 0.0 110.971 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -79.46 31.59 0.23 Allowed 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.125 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.553 HG22 ' N ' ' A' ' 37' ' ' ALA . 50.5 mt -39.73 -91.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.381 179.495 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.597 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -65.97 162.19 48.15 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.577 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.597 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 53.1 Cg_exo -41.63 156.29 0.07 OUTLIER 'Trans proline' 0 C--N 1.309 -1.54 0 C-N-CA 122.872 2.381 . . . . 0.0 112.155 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -91.21 140.64 29.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.63 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -92.22 149.92 39.36 Favored Pre-proline 0 N--CA 1.45 -0.471 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.851 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.91 -60.25 0.12 Allowed 'Trans proline' 0 C--N 1.309 -1.545 0 C-N-CA 122.759 2.306 . . . . 0.0 112.439 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.86 56.88 3.18 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -170.45 27.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.816 0.341 . . . . 0.0 110.551 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.7 t -93.95 124.15 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.641 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.3 p -84.3 151.7 24.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.562 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.62 -179.95 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.48 -40.63 80.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.543 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -64.0 -29.9 71.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.382 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.13 -49.66 41.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.447 179.472 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.7 mt -57.86 -34.42 69.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.561 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -71.37 -35.19 71.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.537 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 tp -63.6 -41.75 98.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.399 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 34.9 mt -65.66 -48.14 83.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.671 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.5 m -57.15 -43.76 82.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.411 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -64.06 -41.18 97.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.3 m -59.96 -46.87 88.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.525 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 87.1 t -61.66 -33.97 59.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.779 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.51 -43.65 76.38 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -71.42 -31.49 67.3 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.837 0.351 . . . . 0.0 110.165 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.33 -37.51 59.04 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.641 -0.983 . . . . 0.0 110.641 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 49.5 mt -68.61 -35.93 72.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.888 0.375 . . . . 0.0 110.306 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.1 -46.03 82.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.628 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.3 mm -61.47 -40.09 85.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.637 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -61.89 -46.69 88.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.599 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.4 p -65.58 -41.2 93.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.619 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.0 tt -55.29 -42.12 73.23 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.358 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 93.3 mt -64.32 -41.81 93.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.586 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 78.4 t -66.83 -47.53 82.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.505 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.5 m -62.06 -32.71 73.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.485 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -65.51 -49.0 70.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.567 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 91.0 m -62.59 -32.91 73.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.631 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 74.4 mt -70.93 -44.15 76.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.597 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.413 ' O ' ' OD1' ' A' ' 32' ' ' ASP . 19.3 m-20 -54.16 -44.49 71.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.449 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.753 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -65.76 -44.03 87.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.635 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.8 mmtm -63.13 -25.18 68.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.61 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.79 -22.59 23.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.703 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 28' ' ' ASN . 4.1 m-20 -84.59 -19.64 32.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.877 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 29' ' ' ALA . 99.4 t -72.12 -24.13 22.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.429 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.689 HD12 ' N ' ' A' ' 34' ' ' LEU . 7.7 mp -98.12 -55.2 2.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.707 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.419 ' O ' ' O ' ' A' ' 36' ' ' ILE . 49.1 m-85 -79.63 29.58 0.25 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.836 179.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.419 ' O ' ' O ' ' A' ' 35' ' ' PHE . 76.2 mt -40.6 -93.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.461 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.563 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -89.93 161.25 38.89 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.514 179.557 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.563 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 46.2 Cg_endo -70.75 149.09 60.02 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.924 2.416 . . . . 0.0 112.021 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -98.83 137.76 36.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.62 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.51 162.13 21.4 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.618 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -70.81 113.65 3.61 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.814 2.343 . . . . 0.0 111.936 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.49 -14.29 32.81 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.65 105.63 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.808 0.337 . . . . 0.0 110.577 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.0 t -66.16 121.4 15.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.498 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.84 120.4 5.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.552 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 56.2 t80 . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.932 -1.032 . . . . 0.0 110.568 -179.887 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.1 -4.83 2.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.537 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -59.76 -33.48 71.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.562 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.38 -56.27 22.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.519 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 84.4 mt -58.7 -35.33 72.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.569 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -64.9 -43.09 93.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.536 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.69 -42.71 99.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.538 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.8 mt -65.18 -36.38 77.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.541 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 89.9 m -67.19 -42.26 84.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.627 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.65 -43.03 94.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.517 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.3 m -58.94 -49.77 76.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.514 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.0 t -64.78 -32.83 59.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.558 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.21 -45.15 50.87 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -69.76 -32.0 70.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.833 0.349 . . . . 0.0 110.618 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.48 -36.84 69.05 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.0 mt -71.67 -36.85 60.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.763 0.316 . . . . 0.0 110.473 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.19 -42.66 96.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.565 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.5 mm -63.05 -42.76 97.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.587 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.527 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -65.44 -41.13 93.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.6 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.5 m -68.09 -37.82 81.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.626 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.5 tt -60.43 -40.76 92.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.497 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.0 -39.24 77.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.642 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 19' ' ' PHE . 89.3 t -68.49 -43.46 83.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.581 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.3 m -64.21 -31.98 73.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.654 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -69.86 -43.77 71.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.569 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.0 m -63.54 -30.44 71.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.503 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.3 mt -75.58 -44.78 40.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.547 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -59.21 -34.94 72.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.541 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.14 -49.84 16.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.537 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.3 mtpt -60.73 -20.31 60.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.517 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.25 -12.79 31.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.536 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -56.11 -35.46 67.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.6 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.5 t -67.84 -26.84 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.568 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.652 HD22 ' N ' ' A' ' 34' ' ' LEU . 3.7 mm? -81.37 -32.02 33.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.492 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -79.78 -18.72 50.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.604 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.6 mt -96.7 -71.84 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.605 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.514 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -81.85 159.49 65.9 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.577 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.514 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 37.6 Cg_endo -68.11 -168.81 0.22 Allowed 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.793 2.328 . . . . 0.0 112.087 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.2 mtm180 -95.94 119.68 34.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.482 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -106.66 160.73 25.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.592 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -39.19 111.03 0.11 Allowed 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.796 2.331 . . . . 0.0 112.118 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.35 -23.55 9.68 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.39 144.8 19.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.812 0.339 . . . . 0.0 110.548 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 87.2 t -96.08 126.95 48.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.514 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 30.3 p -59.58 109.17 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.524 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.582 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.3 t -53.61 -52.98 58.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.565 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.55 -41.26 97.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.775 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -61.4 -45.17 95.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.685 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.7 mt -68.23 -44.52 75.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.488 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -59.55 -40.06 86.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.3 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mt -60.56 -45.07 95.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.588 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 65.3 mt -56.79 -50.61 74.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.7 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 86.7 m -59.3 -44.98 92.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.518 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -58.93 -45.11 91.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.597 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.1 m -60.17 -53.73 54.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.366 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.4 t -60.59 -27.12 39.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.106 0.479 . . . . 0.0 110.549 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.59 -50.12 27.14 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.405 ' CZ ' HD11 ' A' ' 18' ' ' ILE . 89.9 t80 -66.15 -31.71 72.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.877 0.37 . . . . 0.0 110.034 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.5 -38.58 44.07 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.7 mm -64.69 -38.85 83.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.094 0.473 . . . . 0.0 110.601 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.15 -49.87 58.24 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.611 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.405 HD11 ' CZ ' ' A' ' 14' ' ' PHE . 3.5 mm -55.55 -41.7 65.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.62 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.618 ' O ' HG23 ' A' ' 23' ' ' VAL . 2.0 m-85 -65.5 -44.52 86.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.55 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 t -64.42 -37.09 86.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.4 tp -64.12 -40.0 95.24 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 120.859 0.361 . . . . 0.0 110.579 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 88.7 mt -67.97 -31.39 51.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.186 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 19' ' ' PHE . 58.8 t -72.56 -46.93 53.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.634 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 94.9 m -64.84 -31.7 73.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.61 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -69.14 -50.63 46.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.824 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 68.3 m -57.12 -33.79 67.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.47 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 65.8 mt -70.05 -44.65 78.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.412 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -61.29 -24.71 66.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.455 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.23 -41.98 16.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.726 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -67.4 -19.22 65.37 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.624 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.75 -10.02 54.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.782 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -81.05 -11.65 59.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.713 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.469 ' C ' HD12 ' A' ' 34' ' ' LEU . 69.4 t -90.06 -16.99 8.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.303 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.676 HD12 ' N ' ' A' ' 34' ' ' LEU . 7.6 mp -96.08 -57.3 2.38 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 121.137 0.494 . . . . 0.0 110.806 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.572 ' O ' ' N ' ' A' ' 37' ' ' ALA . 53.3 m-85 -85.63 6.25 28.25 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.317 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.8 mt 59.05 -68.45 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 O-C-N 123.918 0.761 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.572 ' N ' ' O ' ' A' ' 35' ' ' PHE . . . -97.85 159.36 31.1 Favored Pre-proline 0 C--N 1.315 -0.926 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.834 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.523 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 35.2 Cg_endo -66.49 154.92 72.55 Favored 'Trans proline' 0 C--N 1.31 -1.487 0 C-N-CA 122.877 2.385 . . . . 0.0 112.052 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -112.67 148.98 33.53 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.533 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -60.93 153.46 65.17 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.61 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.52 -67.31 0.04 OUTLIER 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.575 2.183 . . . . 0.0 112.191 179.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.432 ' C ' ' N ' ' A' ' 44' ' ' VAL . . . 52.15 24.2 14.54 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 48.68 15.17 0.08 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.748 0.308 . . . . 0.0 110.495 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.432 ' N ' ' C ' ' A' ' 42' ' ' GLY . 90.2 t -60.1 129.57 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.401 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.8 t -88.6 133.19 34.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.463 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.719 179.779 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 4' ' ' GLU . . . . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.1 m -38.15 -32.53 0.07 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.562 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -64.35 -47.46 79.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.54 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 1' ' ' ALA . 25.8 mt-10 -60.15 -40.72 90.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.416 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.554 ' N ' HD22 ' A' ' 5' ' ' LEU . 3.9 mm? -64.51 -37.21 86.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.749 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -62.65 -44.83 95.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.45 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.7 -50.01 75.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.601 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 81.0 mt -58.33 -44.13 87.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.394 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.3 m -56.55 -52.88 63.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.592 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 mt -56.47 -43.81 79.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.651 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 43.5 m -61.87 -47.93 82.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.498 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.03 -34.34 56.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.997 0.427 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.45 -50.48 31.82 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -64.56 -32.42 74.06 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.878 0.371 . . . . 0.0 110.108 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.47 -37.31 58.57 Favored Glycine 0 CA--C 1.52 0.358 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mm -69.58 -37.24 74.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.115 0.483 . . . . 0.0 110.742 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mt -64.48 -43.93 92.61 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.558 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.4 mm -62.52 -40.22 87.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.54 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.8 t80 -66.01 -45.38 81.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.542 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.86 -37.61 86.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.743 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.34 -39.14 92.13 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 120.845 0.355 . . . . 0.0 110.445 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 64.9 mt -65.26 -40.21 87.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.548 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 67.7 t -67.68 -50.9 56.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.399 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.471 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 99.4 m -56.23 -32.06 64.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.418 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -66.37 -52.61 45.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.619 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.4 m -55.94 -31.41 62.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.593 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 80.8 mt -72.91 -45.73 54.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.529 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.471 ' ND2' ' O ' ' A' ' 24' ' ' THR . 44.7 m-80 -57.16 -36.08 70.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.551 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.66 -50.86 22.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.73 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -56.99 -27.3 61.38 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.621 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.61 -11.82 55.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.032 0.444 . . . . 0.0 110.797 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -59.89 -32.25 70.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.619 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -66.83 -29.73 47.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.389 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.624 HD22 ' N ' ' A' ' 34' ' ' LEU . 3.6 mm? -77.79 -33.82 52.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.331 0.586 . . . . 0.0 110.765 -179.559 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -79.71 -22.17 43.7 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.66 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.1 mt -92.35 -76.29 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.551 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.58 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -60.59 161.85 13.27 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.581 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.58 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 69.4 Cg_exo -39.8 148.24 0.16 Allowed 'Trans proline' 0 C--N 1.309 -1.531 0 C-N-CA 122.661 2.241 . . . . 0.0 112.16 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.8 mtt85 -95.59 144.46 26.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.603 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.44 ' C ' ' H ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -106.96 162.17 20.54 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.668 -179.911 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -70.2 16.29 0.24 Allowed 'Trans proline' 0 C--N 1.308 -1.592 0 C-N-CA 122.651 2.234 . . . . 0.0 112.105 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.44 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . 50.5 21.81 4.9 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 44.15 43.95 6.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.922 0.391 . . . . 0.0 110.654 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 72.0 t -88.68 110.84 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.495 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.85 148.58 25.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.452 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.085 -0.959 . . . . 0.0 110.5 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.495 ' C ' ' H ' ' A' ' 3' ' ' LYS . . . . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.51 -2.13 0.19 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.558 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.495 ' H ' ' C ' ' A' ' 1' ' ' ALA . 12.6 ptmt -52.58 -37.13 57.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.563 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.59 -49.42 48.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.528 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.1 mt -58.58 -32.02 68.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.539 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -71.03 -44.03 66.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.496 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 tp -62.06 -38.96 90.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.552 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.644 ' O ' HG23 ' A' ' 12' ' ' VAL . 96.6 mt -65.59 -44.39 93.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.601 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.7 m -59.36 -41.63 89.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.593 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.84 -40.69 98.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.517 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.7 m -65.09 -40.64 94.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.576 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 8' ' ' ILE . 58.4 t -61.78 -36.58 74.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.598 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.87 -46.77 51.17 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.731 ' CE2' HD11 ' A' ' 18' ' ' ILE . 61.3 t80 -68.79 -30.5 69.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.77 0.319 . . . . 0.0 110.544 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.0 -35.63 61.21 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.2 mt -73.43 -34.24 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.786 0.326 . . . . 0.0 110.567 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.14 -46.61 86.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.531 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.731 HD11 ' CE2' ' A' ' 14' ' ' PHE . 86.0 mt -62.82 -39.56 85.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.603 179.369 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -64.84 -44.28 90.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.518 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.9 p -68.49 -34.37 75.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.612 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 tt -62.54 -40.78 97.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.566 179.366 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 74.4 mt -66.05 -38.0 81.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.625 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.6 t -64.15 -49.99 78.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.572 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 52.0 m -62.96 -34.18 76.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.529 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -64.69 -47.9 76.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.534 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 88.4 m -59.0 -36.86 75.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.4 mm -63.78 -57.72 10.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.525 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -50.46 -37.82 40.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.618 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.726 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -64.25 -55.65 20.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.547 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.6 mmtt -48.31 -34.74 11.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.445 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.42 -35.45 63.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.618 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -78.8 -4.65 50.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.617 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 29' ' ' ALA . 42.5 t -97.49 -40.84 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.546 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.594 HD12 ' N ' ' A' ' 34' ' ' LEU . 9.5 mp -93.43 -55.51 3.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.513 179.154 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.43 ' O ' ' C ' ' A' ' 36' ' ' ILE . 40.4 m-85 -83.61 31.9 0.47 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.533 -179.617 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 35' ' ' PHE . 29.1 mt -36.75 -88.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.637 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.576 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -59.65 161.88 10.23 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.661 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.576 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 43.8 Cg_endo -70.6 -170.86 0.48 Allowed 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.828 2.352 . . . . 0.0 112.198 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.0 mtp180 -78.53 118.62 20.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.551 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.11 161.59 22.36 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.522 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -39.12 138.61 0.61 Allowed 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.812 2.341 . . . . 0.0 112.139 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.77 -49.05 1.2 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.41 -18.53 63.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.811 0.339 . . . . 0.0 110.561 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.4 t -74.62 102.74 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.598 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -51.26 157.03 1.02 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.629 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.599 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 p 47.22 19.45 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.516 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.1 tttm -61.28 -41.79 97.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.576 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -60.77 -51.49 69.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.628 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.9 mt -57.87 -43.88 86.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.513 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -64.47 -39.88 94.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.57 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 tt -61.44 -46.99 87.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.54 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.547 ' O ' HG23 ' A' ' 12' ' ' VAL . 91.0 mt -60.78 -39.87 83.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.431 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.5 m -57.32 -50.73 71.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.509 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 mp -56.36 -41.74 76.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.547 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 95.2 m -58.75 -47.27 85.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.547 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 8' ' ' ILE . 21.5 t -66.77 -29.33 46.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.999 0.428 . . . . 0.0 110.881 -179.575 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.88 -45.19 34.53 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -72.71 -32.07 65.46 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.975 0.417 . . . . 0.0 109.925 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.72 -36.81 75.83 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.0 mm -71.94 -35.13 53.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.14 0.495 . . . . 0.0 110.699 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 mt -63.96 -41.29 97.61 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.553 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mm -67.05 -39.21 82.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.458 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -62.11 -46.68 87.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.297 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 71.8 p -67.5 -44.0 79.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.051 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.29 -41.31 68.75 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 120.959 0.409 . . . . 0.0 110.333 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 54.6 mt -65.85 -39.92 86.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.719 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.3 t -69.92 -43.45 79.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.61 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.568 HG22 ' OD1' ' A' ' 28' ' ' ASN . 59.5 m -63.55 -31.96 73.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.266 179.697 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -65.5 -51.21 61.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.369 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 94.8 m -61.08 -37.22 81.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.428 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 79.2 mt -67.91 -46.8 81.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.605 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.568 ' OD1' HG22 ' A' ' 24' ' ' THR . 22.9 m120 -54.16 -38.89 66.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.575 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.625 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -66.19 -47.79 72.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.749 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -62.23 -25.02 67.58 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.409 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.02 -39.19 17.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.733 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -60.07 -30.67 69.38 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.83 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 29' ' ' ALA . 72.5 t -55.12 -18.9 4.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.585 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.8 mt -74.77 -47.19 32.3 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.113 0.482 . . . . 0.0 111.007 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -77.86 -11.26 59.87 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.66 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.0 mt -100.78 -74.78 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.325 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.573 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -97.12 161.67 25.43 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.705 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.573 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 47.3 Cg_endo -70.36 164.87 33.56 Favored 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 122.785 2.324 . . . . 0.0 112.306 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -63.81 148.59 48.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.519 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -55.13 148.23 31.02 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.653 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -68.61 3.19 2.38 Favored 'Trans proline' 0 N--CA 1.494 1.554 0 C-N-CA 122.456 2.104 . . . . 0.0 112.246 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 58.63 10.18 7.75 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 63.78 175.32 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.721 0.296 . . . . 0.0 110.659 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 98.7 t -49.87 98.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.575 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 37.1 p -90.73 115.32 27.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.577 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 34.3 p90 . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 117.929 -1.034 . . . . 0.0 110.503 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t -51.34 -54.89 21.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.496 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -59.78 -44.45 93.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.546 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -55.93 -47.89 76.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.999 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.0 mt -66.08 -44.75 83.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.639 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -54.6 -43.38 72.11 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.412 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 mp -61.34 -46.13 91.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.699 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.0 mm -63.6 -39.4 85.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.715 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.3 m -63.93 -44.56 92.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.765 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.93 -41.23 97.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.824 -179.687 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.6 m -63.16 -48.32 78.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.739 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.9 t -67.39 -24.12 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.815 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.47 -47.78 20.71 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -76.74 -32.35 57.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.805 0.336 . . . . 0.0 110.733 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.68 -36.12 82.05 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.5 mm -72.62 -40.86 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 110.72 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.02 -44.4 91.72 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.548 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mm -64.99 -39.44 85.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.642 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.49 ' O ' HG23 ' A' ' 23' ' ' VAL . 58.6 t80 -61.89 -46.27 90.13 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.517 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.5 p -66.75 -40.52 88.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.635 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 21' ' ' LEU . 53.3 tp -59.91 -39.17 84.5 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.564 -179.646 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 67.7 mt -67.34 -37.28 78.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.557 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 19' ' ' PHE . 91.4 t -68.53 -46.57 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.291 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.4 m -61.87 -31.64 71.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.394 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -66.58 -49.54 66.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.421 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 59.3 m -59.59 -33.54 71.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.556 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 59.5 mt -69.38 -45.72 78.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.624 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -53.6 -41.69 66.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.649 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.622 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -66.29 -43.67 85.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.585 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -61.68 -30.67 70.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.484 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.79 -19.78 27.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.7 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -79.79 -21.24 44.57 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.49 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 29' ' ' ALA . 72.4 t -73.25 -20.39 18.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.444 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.653 HD12 ' N ' ' A' ' 34' ' ' LEU . 7.5 mp -96.42 -56.36 2.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.923 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.417 ' O ' ' C ' ' A' ' 36' ' ' ILE . 39.5 m-85 -80.8 30.61 0.31 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 35' ' ' PHE . 59.4 mt -35.59 -90.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.535 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.529 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -70.6 159.96 83.26 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.673 179.426 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.529 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 36.3 Cg_endo -66.9 171.66 10.8 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.715 2.277 . . . . 0.0 112.168 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -63.76 121.53 14.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.689 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -50.53 152.87 3.01 Favored Pre-proline 0 N--CA 1.453 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.716 -179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -65.64 -15.1 47.97 Favored 'Trans proline' 0 C--N 1.308 -1.577 0 C-N-CA 122.75 2.3 . . . . 0.0 112.274 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.51 -38.97 3.06 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 61.58 123.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.815 0.34 . . . . 0.0 110.485 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 42.4 t -79.64 136.67 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.66 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.23 146.79 50.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.616 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 63.6 t80 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.556 179.898 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 p -61.02 -35.56 77.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.622 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -71.1 -35.83 71.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.585 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -66.75 -47.2 73.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.578 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 mt -60.34 -34.72 74.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.541 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -65.99 -53.09 43.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.567 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.8 mt -58.82 -42.63 89.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.544 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.424 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.3 mm -54.44 -52.33 40.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.65 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.3 m -64.59 -41.89 95.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.505 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.513 HD23 ' O ' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -54.08 -45.63 71.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.549 179.809 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 51.5 m -63.94 -46.97 82.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.537 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.437 ' O ' ' CG1' ' A' ' 16' ' ' ILE . 67.6 t -61.45 -27.4 41.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.544 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.76 -48.57 21.36 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.733 ' CE2' HD11 ' A' ' 18' ' ' ILE . 74.1 t80 -72.57 -32.73 66.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.744 0.307 . . . . 0.0 110.568 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.35 -35.85 59.86 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.437 ' CG1' ' O ' ' A' ' 12' ' ' VAL . 3.2 mm -70.7 -38.29 72.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.759 0.314 . . . . 0.0 110.532 179.321 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.39 -48.41 81.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.538 179.617 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.733 HD11 ' CE2' ' A' ' 14' ' ' PHE . 89.7 mt -59.91 -41.92 87.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.527 179.617 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.76 -46.64 88.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.596 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.81 -45.7 91.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.585 179.682 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.3 tp -55.95 -40.23 72.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.509 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.3 mm -63.55 -38.6 82.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.563 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.7 t -68.24 -44.83 83.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.595 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.0 m -64.58 -30.93 71.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.566 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -70.62 -48.05 57.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.506 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 90.7 m -60.72 -36.6 79.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.511 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.4 mt -66.11 -47.17 85.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.543 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -60.31 -43.28 96.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.558 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.578 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -58.81 -41.58 87.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.567 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.1 mmmt -69.28 -28.98 66.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.616 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.54 -21.84 38.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.56 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.545 ' O ' ' N ' ' A' ' 36' ' ' ILE . 80.9 m-20 -80.22 -36.98 34.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.56 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 29' ' ' ALA . 90.6 t -53.18 -24.75 8.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.554 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.642 HD12 ' N ' ' A' ' 34' ' ' LEU . 9.0 mp -96.25 -56.36 2.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.539 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.635 ' O ' ' N ' ' A' ' 37' ' ' ALA . 53.8 m-85 -80.53 10.89 4.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.624 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.545 ' N ' ' O ' ' A' ' 32' ' ' ASP . 11.2 mt 56.67 -72.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.602 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.635 ' N ' ' O ' ' A' ' 35' ' ' PHE . . . -99.39 160.36 27.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.65 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.557 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 42.4 Cg_endo -67.82 -167.02 0.15 Allowed 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.836 2.357 . . . . 0.0 112.094 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 39' ' ' ARG . 26.7 ptt-85 -115.98 120.93 40.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.61 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -53.91 154.53 7.23 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.448 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.1 102.79 0.69 Allowed 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.759 2.306 . . . . 0.0 112.096 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.63 13.01 61.83 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.07 113.69 0.41 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.861 0.363 . . . . 0.0 110.628 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 51.5 t -75.86 128.94 37.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.547 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.7 m -69.01 114.23 7.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.609 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.491 ' OXT' ' CG ' ' A' ' 46' ' ' TYR . 42.2 t80 . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.94 -1.029 . . . . 0.0 110.607 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.405 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 0.9 OUTLIER 75.4 -55.29 0.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.506 -179.734 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.73 -41.8 67.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.508 179.621 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -66.67 -45.2 79.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.613 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 mt -62.55 -38.3 89.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.509 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -60.13 -43.83 95.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.6 179.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 mt -61.78 -53.53 54.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.641 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.406 ' O ' HG23 ' A' ' 12' ' ' VAL . 59.2 mt -55.91 -37.41 47.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.657 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 59.1 m -62.58 -48.36 79.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.5 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.43 -42.49 91.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.51 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.8 m -63.94 -43.54 95.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.581 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 8' ' ' ILE . 56.0 t -63.48 -34.33 66.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.571 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.68 -45.49 52.57 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -68.51 -30.85 69.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.838 0.351 . . . . 0.0 110.579 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.47 -35.41 59.68 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.6 mt -70.13 -37.02 70.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.816 0.341 . . . . 0.0 110.608 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 17' ' ' LEU . 2.2 mm? -67.34 -45.45 76.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.534 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.5 mm -60.71 -39.06 80.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.61 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -66.94 -44.65 80.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.563 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 t -64.02 -42.03 97.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.614 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 tt -56.6 -42.23 78.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.563 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 71.9 mt -64.86 -38.58 83.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.613 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.7 t -64.07 -48.16 87.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.582 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 80.7 m -63.05 -31.94 73.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.553 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -70.8 -50.37 36.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.557 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 98.3 m -56.62 -34.27 67.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.545 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 54.2 mt -68.19 -46.06 81.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.606 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -56.58 -38.5 72.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.547 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.19 -45.37 73.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.529 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.583 ' O ' HD13 ' A' ' 34' ' ' LEU . 28.3 mmtt -63.3 -28.11 69.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.616 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.42 -16.59 32.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.581 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.525 ' C ' ' H ' ' A' ' 34' ' ' LEU . 9.8 m-20 -74.63 -49.7 20.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.406 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.551 ' O ' HG12 ' A' ' 33' ' ' VAL . 65.1 t -51.59 -7.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.558 179.646 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.666 HD12 ' N ' ' A' ' 34' ' ' LEU . 8.5 mp -101.39 -55.87 2.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.544 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -80.14 -4.34 52.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.624 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.64 HG22 ' N ' ' A' ' 37' ' ' ALA . 43.5 mm -116.01 -118.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.535 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.64 ' N ' HG22 ' A' ' 36' ' ' ILE . . . -53.46 162.64 1.17 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.616 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.615 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 63.0 Cg_exo -39.86 153.02 0.06 OUTLIER 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.86 2.373 . . . . 0.0 112.081 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.2 mtt85 -79.61 134.41 36.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.557 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -84.6 151.39 58.55 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.609 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.38 -4.74 12.41 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.776 2.317 . . . . 0.0 112.195 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.48 0.22 29.36 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 59.52 18.95 7.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.337 . . . . 0.0 110.592 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 69.7 t -56.18 138.11 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.572 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 76.1 p -41.97 151.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.53 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.4 t80 . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.938 -1.029 . . . . 0.0 110.518 179.927 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.475 ' C ' ' H ' ' A' ' 3' ' ' LYS . . . . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.417 ' O ' ' OE1' ' A' ' 6' ' ' GLU . 0.1 OUTLIER -59.51 -2.98 0.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.66 -179.798 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.475 ' H ' ' C ' ' A' ' 1' ' ' ALA . 10.1 mttp -66.57 -34.23 77.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.632 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.44 ' CG ' ' N ' ' A' ' 5' ' ' LEU . 7.7 pt-20 -69.72 -42.4 74.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.543 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.44 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 9.7 mt -63.38 -39.98 95.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.443 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.538 ' OE1' ' N ' ' A' ' 6' ' ' GLU . 1.3 mp0 -67.03 -42.39 84.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.536 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.28 -45.48 80.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.598 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.404 ' O ' HG23 ' A' ' 12' ' ' VAL . 67.9 mt -60.86 -46.56 96.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.663 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 59.5 m -62.07 -45.24 94.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.547 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 tp -60.24 -44.54 95.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.494 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.4 m -61.0 -43.85 98.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.382 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 8' ' ' ILE . 95.2 t -71.37 -22.22 22.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.078 0.466 . . . . 0.0 110.709 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.48 -41.82 43.21 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -74.98 -32.1 61.59 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.9 0.381 . . . . 0.0 110.112 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.19 -37.6 48.45 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.656 -0.978 . . . . 0.0 110.656 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.2 mm -69.19 -39.73 79.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.118 0.485 . . . . 0.0 110.586 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 tp -65.16 -42.44 93.73 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.337 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mm -61.26 -39.67 83.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.644 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -64.51 -44.41 91.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.527 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.21 -39.92 86.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.737 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 tt -57.46 -40.67 78.99 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 120.884 0.374 . . . . 0.0 110.515 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 57.3 mt -66.81 -40.05 85.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.742 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.7 -49.94 59.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.502 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.3 m -57.42 -31.88 66.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.413 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -67.34 -49.21 65.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.609 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 80.8 m -58.56 -33.08 69.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.417 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 17.2 mt -74.75 -40.65 47.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.662 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -59.53 -30.5 68.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.586 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.85 -49.0 15.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.635 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt -64.54 -19.69 65.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.554 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.69 -13.42 32.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.191 0.519 . . . . 0.0 110.615 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -58.02 -26.25 62.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.516 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.8 t -71.19 -28.36 32.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.747 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.649 HD22 ' N ' ' A' ' 34' ' ' LEU . 3.6 mm? -79.28 -33.3 43.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.332 0.587 . . . . 0.0 110.88 -179.593 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -79.64 -23.24 42.7 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.7 mt -93.89 -74.52 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.599 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.587 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -66.97 161.93 58.11 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.53 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.587 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 65.9 Cg_exo -39.32 145.71 0.21 Allowed 'Trans proline' 0 C--N 1.31 -1.453 0 C-N-CA 122.827 2.351 . . . . 0.0 112.18 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.4 ptt-85 -107.62 130.55 54.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.596 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.63 160.02 27.44 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.493 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -64.69 -179.77 1.06 Allowed 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.767 2.311 . . . . 0.0 112.002 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 43' ' ' ALA . . . 116.64 28.24 2.57 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 42' ' ' GLY . . . 42.71 94.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.717 0.294 . . . . 0.0 110.453 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.436 ' O ' ' O ' ' A' ' 45' ' ' SER . 51.7 t -122.41 135.79 61.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.56 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 44' ' ' VAL . 12.7 p 41.19 94.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.651 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.9 t80 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.592 179.981 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 p 64.1 5.31 2.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.672 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.9 tttt -63.63 -28.34 69.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.454 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -59.81 -53.35 58.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.734 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.8 mt -67.64 -41.05 84.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.711 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 73.5 tt0 -53.96 -42.86 69.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.522 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.91 -49.19 68.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.532 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.745 ' O ' HG23 ' A' ' 12' ' ' VAL . 97.3 mt -59.01 -37.02 65.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.475 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.1 m -65.37 -47.17 77.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.467 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 mp -59.49 -36.16 75.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.419 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 43.6 m -68.33 -47.11 68.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.512 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 8' ' ' ILE . 56.1 t -57.08 -37.83 57.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.063 0.459 . . . . 0.0 110.777 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.62 -42.75 87.47 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.696 ' CE2' HD11 ' A' ' 18' ' ' ILE . 71.6 t80 -67.25 -33.12 74.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.994 0.426 . . . . 0.0 109.911 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.97 -34.86 58.41 Favored Glycine 0 N--CA 1.463 0.494 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.8 mt -70.26 -34.64 59.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.94 0.4 . . . . 0.0 110.494 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 tp -66.8 -42.85 85.27 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.678 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.696 HD11 ' CE2' ' A' ' 14' ' ' PHE . 90.0 mt -63.06 -38.73 82.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.538 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.23 -46.12 74.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.062 0.458 . . . . 0.0 110.555 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 p -63.53 -35.9 82.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.511 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.4 tp -63.46 -42.17 98.62 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-O 120.912 0.387 . . . . 0.0 110.348 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.3 mt -66.4 -31.47 53.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.602 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.9 t -68.26 -51.71 45.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.463 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 47.3 m -63.85 -32.3 73.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.454 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -65.71 -50.85 63.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.406 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 92.2 m -58.48 -32.74 69.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.423 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 85.9 mt -71.74 -44.27 68.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.659 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -64.45 -35.58 81.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.575 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.44 -49.35 49.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.8 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -59.77 -26.2 65.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.506 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.93 -22.37 59.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.966 0.412 . . . . 0.0 110.789 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -83.42 -7.2 59.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.889 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.425 ' C ' HD22 ' A' ' 34' ' ' LEU . 48.1 t -102.97 -29.42 2.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.334 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.537 HD22 ' N ' ' A' ' 34' ' ' LEU . 3.8 mm? -94.55 -56.84 2.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.29 0.566 . . . . 0.0 111.431 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -83.35 30.1 0.48 Allowed 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.037 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.56 HG22 ' N ' ' A' ' 37' ' ' ALA . 44.5 mt -40.59 -88.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.543 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.593 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -82.48 161.77 58.15 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.66 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.593 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 38.4 Cg_endo -68.2 176.07 5.96 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 122.798 2.332 . . . . 0.0 112.183 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.6 mtp180 -93.87 139.26 31.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.415 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.488 ' CD ' ' N ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -107.38 162.98 17.97 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.576 -179.733 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -42.88 121.31 2.19 Favored 'Trans proline' 0 C--N 1.311 -1.405 0 C-N-CA 122.838 2.358 . . . . 0.0 112.159 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 48.52 48.42 28.23 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.88 136.41 6.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.841 0.353 . . . . 0.0 110.561 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.0 t -100.11 113.67 36.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.622 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.81 156.82 0.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.579 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.222 -0.382 0 CA-C-O 117.957 -1.02 . . . . 0.0 110.592 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.1 m -56.31 -47.59 78.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.435 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.42 -38.31 86.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.529 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.98 -49.76 76.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.656 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 mt -62.76 -40.47 97.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.439 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -58.09 -45.26 87.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.497 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mp -64.69 -46.84 80.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.543 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.1 mt -56.03 -39.35 57.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.596 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.9 m -66.03 -42.78 89.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.383 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.3 mt -63.37 -36.79 84.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.429 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 51.1 m -65.87 -49.1 69.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.659 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.9 t -60.73 -26.5 38.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.906 0.384 . . . . 0.0 110.947 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.37 -45.22 31.08 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 111.281 -0.728 . . . . 0.0 111.281 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -75.31 -31.19 60.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.085 0.469 . . . . 0.0 110.142 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.54 -37.75 58.06 Favored Glycine 0 CA--C 1.519 0.299 0 N-CA-C 110.594 -1.003 . . . . 0.0 110.594 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.2 mm -69.37 -41.39 80.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.057 0.456 . . . . 0.0 110.648 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.08 -48.38 81.94 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.657 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.6 mm -60.14 -39.55 80.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.047 0.451 . . . . 0.0 110.3 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -62.72 -47.5 83.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.239 0.542 . . . . 0.0 110.317 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.4 -41.09 98.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.704 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 tt -57.0 -41.68 78.88 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-O 120.877 0.37 . . . . 0.0 110.448 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 90.5 mt -62.5 -39.17 83.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.651 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.8 t -71.85 -41.41 69.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.439 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.6 m -63.56 -31.98 73.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.389 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -72.3 -42.24 65.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.338 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 88.0 m -60.9 -36.16 78.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.292 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.4 mt -66.14 -49.34 77.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.557 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -53.45 -39.54 64.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.004 0.431 . . . . 0.0 110.475 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.33 -46.6 72.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.71 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.433 ' O ' HD13 ' A' ' 34' ' ' LEU . 26.8 mtpt -62.39 -25.77 68.11 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.55 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.22 -26.06 22.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.195 0.521 . . . . 0.0 110.671 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -68.84 -34.24 75.15 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.535 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.474 ' C ' HD12 ' A' ' 34' ' ' LEU . 71.3 t -62.18 -13.97 11.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.792 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.653 HD12 ' N ' ' A' ' 34' ' ' LEU . 7.8 mp -96.71 -46.75 6.16 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.298 0.57 . . . . 0.0 110.905 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -79.58 -34.64 40.68 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.64 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.507 ' O ' HG22 ' A' ' 36' ' ' ILE . 11.9 mm -94.52 23.98 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.535 0.683 . . . . 0.0 109.485 -179.323 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.548 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -59.0 162.11 7.78 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.296 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.548 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 48.3 Cg_endo -71.44 164.19 36.56 Favored 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 122.556 2.171 . . . . 0.0 112.137 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.3 ptp180 -82.5 149.14 27.72 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.362 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.481 ' CD ' ' N ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -112.1 160.73 28.92 Favored Pre-proline 0 CA--C 1.529 0.166 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.667 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -40.62 -54.99 2.11 Favored 'Trans proline' 0 C--N 1.31 -1.488 0 C-N-CA 122.598 2.199 . . . . 0.0 112.304 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 95.39 -43.83 2.18 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -179.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.668 ' O ' HG23 ' A' ' 44' ' ' VAL . . . 60.78 106.69 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 118.938 -0.553 . . . . 0.0 110.191 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 43' ' ' ALA . 96.3 t 115.48 102.43 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 O-C-N 125.117 1.511 . . . . 0.0 110.348 179.048 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.88 114.39 21.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.915 0.388 . . . . 0.0 110.571 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.086 -0.959 . . . . 0.0 110.621 -179.964 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.777 0.322 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 68.1 mt -55.7 -45.78 79.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.606 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.8 m -63.89 -43.53 95.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.406 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.44 -47.69 81.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.466 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.9 m -58.27 -50.49 73.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.648 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.7 t -61.09 -32.04 51.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.91 -40.8 51.12 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.841 ' CE2' HD11 ' A' ' 18' ' ' ILE . 65.5 t80 -72.32 -31.41 65.65 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.33 -36.36 63.33 Favored Glycine 0 CA--C 1.52 0.358 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.438 ' O ' ' OG ' ' A' ' 20' ' ' SER . 44.6 mt -70.45 -36.02 64.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.307 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 mp -65.26 -41.75 93.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.629 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.841 HD11 ' CE2' ' A' ' 14' ' ' PHE . 78.5 mt -62.53 -41.27 91.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.412 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.684 ' O ' HG23 ' A' ' 23' ' ' VAL . 18.5 t80 -62.68 -44.24 96.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.406 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -66.49 -41.35 89.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.38 -40.27 77.81 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 120.882 0.372 . . . . 0.0 110.551 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 30.9 mt -69.64 -34.6 62.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.677 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 19' ' ' PHE . 61.5 t -70.81 -50.29 44.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.457 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 88.1 m -63.22 -34.95 78.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.643 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -63.34 -48.63 77.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.507 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 79.6 m -58.45 -36.52 73.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.273 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.596 -179.908 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.927 0.394 . . . . 0.0 110.6 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 24.8 mt -65.32 -36.3 77.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.664 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 59.2 m -62.98 -47.12 84.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.506 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 tp -59.4 -37.99 79.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.517 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.5 m -60.01 -53.95 51.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.592 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.6 t -60.27 -31.45 48.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.534 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.22 -46.57 57.09 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -70.61 -31.01 67.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.974 0.416 . . . . 0.0 110.378 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.97 -36.33 73.01 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 48.6 mt -72.56 -36.52 54.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.568 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tp -63.79 -44.14 94.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.563 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.6 mm -62.76 -41.67 93.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.745 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.446 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -64.62 -46.32 83.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.589 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -61.83 -41.3 97.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.542 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 tt -58.86 -39.89 82.7 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 120.851 0.358 . . . . 0.0 110.59 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.6 mm -64.81 -36.84 78.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.695 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 19' ' ' PHE . 58.4 t -65.19 -49.12 80.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.43 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 53.7 m -64.15 -31.61 72.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.554 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -68.35 -51.05 48.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.622 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 67.2 m -58.24 -33.55 69.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.49 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 67.7 mt . . . . . 0 C--N 1.333 -0.151 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.528 179.851 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 tp . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.84 0.353 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 65.2 mt -62.79 -46.35 96.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.523 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 80.7 m -57.55 -47.77 81.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.402 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 mt -56.67 -47.69 79.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.574 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.8 m -56.95 -48.42 78.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.349 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.6 t -58.36 -34.8 51.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.963 0.411 . . . . 0.0 110.964 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.2 -43.06 48.68 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.757 ' CE2' HD11 ' A' ' 18' ' ' ILE . 44.6 t80 -69.57 -32.57 71.42 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.0 -38.18 74.17 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 110.639 -0.984 . . . . 0.0 110.639 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.1 mt -68.98 -33.53 59.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.94 0.4 . . . . 0.0 110.341 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 tp -65.47 -42.68 92.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.311 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.757 HD11 ' CE2' ' A' ' 14' ' ' PHE . 94.1 mt -62.58 -39.8 85.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.307 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.449 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -63.76 -46.85 83.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.348 179.884 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 t -64.54 -39.27 93.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.697 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.16 -39.43 86.38 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 120.801 0.334 . . . . 0.0 110.383 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 74.6 mt -67.32 -36.45 76.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.75 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 19' ' ' PHE . 61.7 t -71.65 -44.33 69.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.528 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 93.1 m -62.96 -31.56 72.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.473 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -71.06 -45.0 64.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.492 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 82.6 m -59.22 -35.72 74.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.4 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 71.8 mt . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.535 179.86 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 mm? . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 120.788 0.328 . . . . 0.0 110.671 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 97.9 mt -61.63 -37.83 78.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.471 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.2 m -64.24 -44.8 90.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.531 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 mt -62.25 -37.34 85.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.617 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 46.6 m -63.92 -48.94 74.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.535 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 92.1 t -66.46 -29.85 47.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.777 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.65 -43.03 45.1 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -73.72 -31.05 63.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.841 0.353 . . . . 0.0 110.224 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.68 -38.3 61.28 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 61.4 mt -70.18 -38.04 73.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.907 0.384 . . . . 0.0 110.505 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mp -63.43 -42.47 98.7 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.565 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.4 mm -62.54 -39.79 85.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.389 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.1 -47.26 87.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.445 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.78 -40.62 83.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.652 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.9 tt -52.7 -45.5 66.91 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 120.821 0.343 . . . . 0.0 110.445 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.0 mt -65.21 -41.25 91.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.491 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 50.4 t -63.3 -46.89 94.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.661 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.3 m -64.96 -33.99 77.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.621 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.407 ' CD1' ' C ' ' A' ' 25' ' ' TYR . 31.6 t80 -68.21 -48.45 65.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.541 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 64.3 m -59.49 -32.96 70.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.431 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.9 mm . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.551 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 tp . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.73 0.3 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.5 mm -59.08 -47.47 89.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.0 m -60.72 -45.77 92.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.494 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -57.18 -43.85 83.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.701 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.8 m -63.18 -45.56 91.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.606 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.99 -31.78 52.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.759 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.33 -45.49 30.19 Favored Glycine 0 CA--C 1.521 0.406 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -66.91 -32.06 73.07 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.95 -38.09 56.17 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.394 -1.082 . . . . 0.0 110.394 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 48.8 mt -70.65 -37.92 71.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.3 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.46 -42.68 99.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.2 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.2 mm -64.48 -37.22 79.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.875 0.369 . . . . 0.0 110.194 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.652 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -69.94 -45.06 68.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.71 179.697 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.12 -36.14 82.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.842 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 tt -66.49 -39.56 88.81 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 120.775 0.322 . . . . 0.0 110.763 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 70.0 mt -67.55 -33.3 61.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.468 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 19' ' ' PHE . 61.8 t -68.0 -45.14 84.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.387 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.1 m -66.02 -31.66 72.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.438 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -66.73 -46.28 75.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.478 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 97.2 m -60.74 -39.91 90.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.529 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 72.1 mt . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.37 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.75 0.31 . . . . 0.0 110.568 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.476 ' O ' HG23 ' A' ' 12' ' ' VAL . 63.1 mt -66.26 -39.52 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.556 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 58.1 m -62.49 -48.41 79.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.498 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.99 -45.62 75.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.499 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.6 m -65.15 -46.34 81.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.591 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 8' ' ' ILE . 79.2 t -61.66 -30.49 48.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.642 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.7 -46.61 30.16 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.78 ' CE2' HD11 ' A' ' 18' ' ' ILE . 59.0 t80 -68.6 -31.81 71.25 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.877 0.37 . . . . 0.0 110.159 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.87 -35.63 61.64 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.5 mm -69.85 -37.12 72.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.129 0.49 . . . . 0.0 110.766 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.68 -44.44 93.7 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.442 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.78 HD11 ' CE2' ' A' ' 14' ' ' PHE . 86.9 mt -59.78 -42.77 89.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.453 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.51 -45.42 94.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.578 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.6 m -64.39 -43.03 95.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.654 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.1 tt -56.35 -41.26 75.81 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 120.83 0.348 . . . . 0.0 110.42 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.4 mt -64.13 -39.17 84.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.629 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.2 t -64.5 -50.62 75.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.593 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 88.1 m -64.3 -32.39 73.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.463 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -67.87 -44.59 76.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.556 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 74.8 m -63.24 -31.38 72.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.543 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.0 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.591 179.775 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.805 0.336 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.405 ' O ' HG23 ' A' ' 12' ' ' VAL . 60.7 mt -60.65 -46.62 95.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.612 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.4 m -61.14 -40.73 94.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.599 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 tp -60.52 -43.88 96.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.64 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.1 m -65.84 -39.28 90.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.539 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 8' ' ' ILE . 76.3 t -64.09 -32.73 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.553 179.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.16 -44.41 53.69 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.88 ' CE2' HD11 ' A' ' 18' ' ' ILE . 62.6 t80 -69.96 -33.03 71.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.753 0.311 . . . . 0.0 110.515 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.26 -37.9 63.12 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 57.1 mt -69.42 -36.08 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.8 0.334 . . . . 0.0 110.498 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.11 -39.65 90.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.494 179.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.88 HD11 ' CE2' ' A' ' 14' ' ' PHE . 76.6 mt -64.08 -42.28 95.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.576 179.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -62.55 -44.97 95.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.575 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 t -64.82 -43.75 92.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.542 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.5 tt -55.84 -39.4 71.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.636 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 64.7 mt -66.74 -39.8 84.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.565 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.6 t -68.33 -40.14 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.562 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.3 m -68.42 -30.8 69.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.551 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -67.56 -47.53 69.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.567 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 80.8 m -62.18 -36.83 83.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.547 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.4 mt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.522 179.823 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.7 mp . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.867 0.365 . . . . 0.0 110.212 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.6 mm -62.07 -38.72 81.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.448 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 49.2 m -58.22 -48.09 81.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.253 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 mp -63.68 -37.81 88.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.57 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.3 m -62.74 -53.43 54.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.403 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.3 t -57.29 -33.7 44.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.923 0.392 . . . . 0.0 110.852 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.57 -45.62 52.45 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.484 ' CZ ' HD11 ' A' ' 18' ' ' ILE . 78.6 t80 -70.34 -30.94 68.03 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.851 0.358 . . . . 0.0 110.165 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.18 -37.82 63.48 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 56.9 mt -70.69 -36.3 64.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.941 0.401 . . . . 0.0 110.664 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.9 tp -65.16 -47.35 77.33 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.856 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.484 HD11 ' CZ ' ' A' ' 14' ' ' PHE . 3.8 mm -59.32 -41.48 84.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.593 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.553 ' O ' HG23 ' A' ' 23' ' ' VAL . 82.0 t80 -65.04 -42.49 94.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.37 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.56 -39.44 91.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.654 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 tt -59.51 -41.71 90.54 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 120.725 0.298 . . . . 0.0 110.64 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 88.2 mt -66.24 -37.46 79.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.789 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 19' ' ' PHE . 95.4 t -63.54 -51.92 64.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.482 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 94.5 m -60.35 -32.28 71.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.393 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -65.74 -46.93 77.0 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.361 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.7 m -57.04 -36.93 71.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.189 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.0 mm . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.709 -179.825 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 tp . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.803 0.335 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 34.9 mt -65.66 -48.14 83.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.671 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.5 m -57.15 -43.76 82.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.411 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -64.06 -41.18 97.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.3 m -59.96 -46.87 88.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.525 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 87.1 t -61.66 -33.97 59.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.779 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.51 -43.65 76.38 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -71.42 -31.49 67.3 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.837 0.351 . . . . 0.0 110.165 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.33 -37.51 59.04 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.641 -0.983 . . . . 0.0 110.641 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 49.5 mt -68.61 -35.93 72.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.888 0.375 . . . . 0.0 110.306 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.1 -46.03 82.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.628 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.3 mm -61.47 -40.09 85.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.637 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -61.89 -46.69 88.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.599 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.4 p -65.58 -41.2 93.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.619 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.0 tt -55.29 -42.12 73.23 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.358 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 93.3 mt -64.32 -41.81 93.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.586 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 78.4 t -66.83 -47.53 82.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.505 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.5 m -62.06 -32.71 73.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.485 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -65.51 -49.0 70.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.567 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 91.0 m -62.59 -32.91 73.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.631 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 74.4 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.597 179.849 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.769 0.319 . . . . 0.0 110.538 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.8 mt -65.18 -36.38 77.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.541 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 89.9 m -67.19 -42.26 84.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.627 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.65 -43.03 94.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.517 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.3 m -58.94 -49.77 76.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.514 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.0 t -64.78 -32.83 59.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.558 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.21 -45.15 50.87 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -69.76 -32.0 70.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.833 0.349 . . . . 0.0 110.618 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.48 -36.84 69.05 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.0 mt -71.67 -36.85 60.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.763 0.316 . . . . 0.0 110.473 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.19 -42.66 96.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.565 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.5 mm -63.05 -42.76 97.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.587 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.527 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -65.44 -41.13 93.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.6 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.5 m -68.09 -37.82 81.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.626 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.5 tt -60.43 -40.76 92.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.497 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.0 -39.24 77.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.642 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 19' ' ' PHE . 89.3 t -68.49 -43.46 83.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.581 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.3 m -64.21 -31.98 73.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.654 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -69.86 -43.77 71.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.569 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.0 m -63.54 -30.44 71.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.503 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.3 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.547 179.943 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.86 0.362 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 65.3 mt -56.79 -50.61 74.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.7 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 86.7 m -59.3 -44.98 92.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.518 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -58.93 -45.11 91.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.597 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.1 m -60.17 -53.73 54.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.366 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.4 t -60.59 -27.12 39.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.106 0.479 . . . . 0.0 110.549 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.59 -50.12 27.14 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.405 ' CZ ' HD11 ' A' ' 18' ' ' ILE . 89.9 t80 -66.15 -31.71 72.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.877 0.37 . . . . 0.0 110.034 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.5 -38.58 44.07 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.7 mm -64.69 -38.85 83.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.094 0.473 . . . . 0.0 110.601 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.15 -49.87 58.24 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.611 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.405 HD11 ' CZ ' ' A' ' 14' ' ' PHE . 3.5 mm -55.55 -41.7 65.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.62 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.618 ' O ' HG23 ' A' ' 23' ' ' VAL . 2.0 m-85 -65.5 -44.52 86.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.55 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 t -64.42 -37.09 86.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.4 tp -64.12 -40.0 95.24 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 120.859 0.361 . . . . 0.0 110.579 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 88.7 mt -67.97 -31.39 51.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 19' ' ' PHE . 58.8 t -72.56 -46.93 53.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.634 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 94.9 m -64.84 -31.7 73.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.61 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -69.14 -50.63 46.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.824 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 68.3 m -57.12 -33.79 67.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.47 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 65.8 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.412 179.896 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.796 0.332 . . . . 0.0 110.601 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 81.0 mt -58.33 -44.13 87.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.394 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.3 m -56.55 -52.88 63.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.592 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 mt -56.47 -43.81 79.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.651 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 43.5 m -61.87 -47.93 82.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.498 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.03 -34.34 56.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.997 0.427 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.45 -50.48 31.82 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -64.56 -32.42 74.06 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.878 0.371 . . . . 0.0 110.108 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.47 -37.31 58.57 Favored Glycine 0 CA--C 1.52 0.358 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mm -69.58 -37.24 74.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.115 0.483 . . . . 0.0 110.742 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mt -64.48 -43.93 92.61 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.558 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.4 mm -62.52 -40.22 87.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.54 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.8 t80 -66.01 -45.38 81.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.542 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.86 -37.61 86.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.743 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.34 -39.14 92.13 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 120.845 0.355 . . . . 0.0 110.445 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 64.9 mt -65.26 -40.21 87.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.548 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 67.7 t -67.68 -50.9 56.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.399 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.4 m -56.23 -32.06 64.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.418 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -66.37 -52.61 45.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.619 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.4 m -55.94 -31.41 62.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.593 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 80.8 mt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.529 179.987 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.768 0.318 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.644 ' O ' HG23 ' A' ' 12' ' ' VAL . 96.6 mt -65.59 -44.39 93.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.601 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.7 m -59.36 -41.63 89.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.593 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.84 -40.69 98.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.517 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.7 m -65.09 -40.64 94.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.576 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 8' ' ' ILE . 58.4 t -61.78 -36.58 74.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.598 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.87 -46.77 51.17 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.731 ' CE2' HD11 ' A' ' 18' ' ' ILE . 61.3 t80 -68.79 -30.5 69.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.77 0.319 . . . . 0.0 110.544 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.0 -35.63 61.21 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.2 mt -73.43 -34.24 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.786 0.326 . . . . 0.0 110.567 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.14 -46.61 86.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.531 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.731 HD11 ' CE2' ' A' ' 14' ' ' PHE . 86.0 mt -62.82 -39.56 85.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.603 179.369 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -64.84 -44.28 90.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.518 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.9 p -68.49 -34.37 75.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.612 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 tt -62.54 -40.78 97.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.566 179.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 74.4 mt -66.05 -38.0 81.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.625 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.6 t -64.15 -49.99 78.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.572 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 52.0 m -62.96 -34.18 76.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.529 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -64.69 -47.9 76.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.534 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 88.4 m -59.0 -36.86 75.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.4 mm . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.525 179.963 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 tt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.883 0.373 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.547 ' O ' HG23 ' A' ' 12' ' ' VAL . 91.0 mt -60.78 -39.87 83.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.431 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.5 m -57.32 -50.73 71.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.509 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 mp -56.36 -41.74 76.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.547 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 95.2 m -58.75 -47.27 85.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.547 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 8' ' ' ILE . 21.5 t -66.77 -29.33 46.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.999 0.428 . . . . 0.0 110.881 -179.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.88 -45.19 34.53 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -72.71 -32.07 65.46 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.975 0.417 . . . . 0.0 109.925 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.72 -36.81 75.83 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.0 mm -71.94 -35.13 53.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.14 0.495 . . . . 0.0 110.699 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 mt -63.96 -41.29 97.61 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.553 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mm -67.05 -39.21 82.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.458 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -62.11 -46.68 87.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.297 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 71.8 p -67.5 -44.0 79.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.051 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.29 -41.31 68.75 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 120.959 0.409 . . . . 0.0 110.333 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 54.6 mt -65.85 -39.92 86.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.719 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.3 t -69.92 -43.45 79.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.61 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.5 m -63.55 -31.96 73.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.266 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -65.5 -51.21 61.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.369 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 94.8 m -61.08 -37.22 81.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.428 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 79.2 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.605 -179.964 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 mp . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.73 0.3 . . . . 0.0 110.699 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.0 mm -63.6 -39.4 85.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.715 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.3 m -63.93 -44.56 92.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.765 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.93 -41.23 97.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.824 -179.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.6 m -63.16 -48.32 78.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.739 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.9 t -67.39 -24.12 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.815 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.47 -47.78 20.71 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -76.74 -32.35 57.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.805 0.336 . . . . 0.0 110.733 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.68 -36.12 82.05 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.5 mm -72.62 -40.86 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 110.72 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.02 -44.4 91.72 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.548 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mm -64.99 -39.44 85.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.642 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.49 ' O ' HG23 ' A' ' 23' ' ' VAL . 58.6 t80 -61.89 -46.27 90.13 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.517 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.5 p -66.75 -40.52 88.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.635 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 21' ' ' LEU . 53.3 tp -59.91 -39.17 84.5 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.564 -179.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 67.7 mt -67.34 -37.28 78.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.557 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 19' ' ' PHE . 91.4 t -68.53 -46.57 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.291 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.4 m -61.87 -31.64 71.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.394 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -66.58 -49.54 66.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.421 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 59.3 m -59.59 -33.54 71.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.556 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 59.5 mt . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.624 -179.827 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.8 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.759 0.314 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.424 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.3 mm -54.44 -52.33 40.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.65 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.3 m -64.59 -41.89 95.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.505 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.513 HD23 ' O ' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -54.08 -45.63 71.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.549 179.809 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 51.5 m -63.94 -46.97 82.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.537 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.437 ' O ' ' CG1' ' A' ' 16' ' ' ILE . 67.6 t -61.45 -27.4 41.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.544 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.76 -48.57 21.36 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.733 ' CE2' HD11 ' A' ' 18' ' ' ILE . 74.1 t80 -72.57 -32.73 66.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.744 0.307 . . . . 0.0 110.568 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.35 -35.85 59.86 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.437 ' CG1' ' O ' ' A' ' 12' ' ' VAL . 3.2 mm -70.7 -38.29 72.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.759 0.314 . . . . 0.0 110.532 179.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.39 -48.41 81.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.538 179.617 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.733 HD11 ' CE2' ' A' ' 14' ' ' PHE . 89.7 mt -59.91 -41.92 87.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.527 179.617 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.76 -46.64 88.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.596 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.81 -45.7 91.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.585 179.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.3 tp -55.95 -40.23 72.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.509 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.3 mm -63.55 -38.6 82.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.563 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.7 t -68.24 -44.83 83.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.595 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.0 m -64.58 -30.93 71.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.566 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -70.62 -48.05 57.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.506 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 90.7 m -60.72 -36.6 79.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.511 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.4 mt . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.543 -179.989 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 mt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.885 0.374 . . . . 0.0 110.641 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.406 ' O ' HG23 ' A' ' 12' ' ' VAL . 59.2 mt -55.91 -37.41 47.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.657 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 59.1 m -62.58 -48.36 79.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.5 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.43 -42.49 91.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.51 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.8 m -63.94 -43.54 95.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.581 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 8' ' ' ILE . 56.0 t -63.48 -34.33 66.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.571 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.68 -45.49 52.57 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -68.51 -30.85 69.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.838 0.351 . . . . 0.0 110.579 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.47 -35.41 59.68 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.6 mt -70.13 -37.02 70.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.816 0.341 . . . . 0.0 110.608 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 17' ' ' LEU . 2.2 mm? -67.34 -45.45 76.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.534 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.5 mm -60.71 -39.06 80.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.61 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -66.94 -44.65 80.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.563 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 t -64.02 -42.03 97.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.614 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 tt -56.6 -42.23 78.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.563 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 71.9 mt -64.86 -38.58 83.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.613 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.7 t -64.07 -48.16 87.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.582 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 80.7 m -63.05 -31.94 73.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.553 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -70.8 -50.37 36.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.557 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 98.3 m -56.62 -34.27 67.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.545 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 54.2 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.606 -179.801 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.702 0.287 . . . . 0.0 110.598 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.404 ' O ' HG23 ' A' ' 12' ' ' VAL . 67.9 mt -60.86 -46.56 96.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.663 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 59.5 m -62.07 -45.24 94.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.547 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 tp -60.24 -44.54 95.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.494 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.4 m -61.0 -43.85 98.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.382 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 8' ' ' ILE . 95.2 t -71.37 -22.22 22.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.078 0.466 . . . . 0.0 110.709 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.48 -41.82 43.21 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -74.98 -32.1 61.59 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.9 0.381 . . . . 0.0 110.112 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.19 -37.6 48.45 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.656 -0.978 . . . . 0.0 110.656 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.2 mm -69.19 -39.73 79.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.118 0.485 . . . . 0.0 110.586 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 tp -65.16 -42.44 93.73 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.337 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mm -61.26 -39.67 83.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.644 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -64.51 -44.41 91.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.527 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.21 -39.92 86.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.737 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 tt -57.46 -40.67 78.99 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 120.884 0.374 . . . . 0.0 110.515 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 57.3 mt -66.81 -40.05 85.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.742 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.7 -49.94 59.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.502 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.3 m -57.42 -31.88 66.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.413 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -67.34 -49.21 65.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.609 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 80.8 m -58.56 -33.08 69.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.417 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 17.2 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.662 179.915 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 120.893 0.378 . . . . 0.0 110.532 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.745 ' O ' HG23 ' A' ' 12' ' ' VAL . 97.3 mt -59.01 -37.02 65.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.475 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.1 m -65.37 -47.17 77.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.467 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 mp -59.49 -36.16 75.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.419 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 43.6 m -68.33 -47.11 68.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.512 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 8' ' ' ILE . 56.1 t -57.08 -37.83 57.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.063 0.459 . . . . 0.0 110.777 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.62 -42.75 87.47 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.696 ' CE2' HD11 ' A' ' 18' ' ' ILE . 71.6 t80 -67.25 -33.12 74.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.994 0.426 . . . . 0.0 109.911 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.97 -34.86 58.41 Favored Glycine 0 N--CA 1.463 0.494 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.8 mt -70.26 -34.64 59.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.94 0.4 . . . . 0.0 110.494 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 tp -66.8 -42.85 85.27 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.678 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.696 HD11 ' CE2' ' A' ' 14' ' ' PHE . 90.0 mt -63.06 -38.73 82.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.538 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.23 -46.12 74.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.062 0.458 . . . . 0.0 110.555 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 p -63.53 -35.9 82.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.511 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.4 tp -63.46 -42.17 98.62 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-O 120.912 0.387 . . . . 0.0 110.348 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.3 mt -66.4 -31.47 53.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.602 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.9 t -68.26 -51.71 45.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.463 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 47.3 m -63.85 -32.3 73.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.454 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -65.71 -50.85 63.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.406 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 92.2 m -58.48 -32.74 69.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.423 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 85.9 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.659 -179.91 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.822 0.344 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.1 mt -56.03 -39.35 57.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.596 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.9 m -66.03 -42.78 89.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.383 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.3 mt -63.37 -36.79 84.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.429 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 51.1 m -65.87 -49.1 69.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.659 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.9 t -60.73 -26.5 38.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.906 0.384 . . . . 0.0 110.947 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.37 -45.22 31.08 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 111.281 -0.728 . . . . 0.0 111.281 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -75.31 -31.19 60.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.085 0.469 . . . . 0.0 110.142 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.54 -37.75 58.06 Favored Glycine 0 CA--C 1.519 0.299 0 N-CA-C 110.594 -1.003 . . . . 0.0 110.594 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.2 mm -69.37 -41.39 80.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.057 0.456 . . . . 0.0 110.648 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.08 -48.38 81.94 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.657 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.6 mm -60.14 -39.55 80.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.047 0.451 . . . . 0.0 110.3 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -62.72 -47.5 83.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.239 0.542 . . . . 0.0 110.317 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.4 -41.09 98.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.704 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 tt -57.0 -41.68 78.88 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-O 120.877 0.37 . . . . 0.0 110.448 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 90.5 mt -62.5 -39.17 83.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.651 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.8 t -71.85 -41.41 69.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.439 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.6 m -63.56 -31.98 73.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.389 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -72.3 -42.24 65.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.338 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 88.0 m -60.9 -36.16 78.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.292 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.4 mt . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.557 179.962 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.02 -41.47 97.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.632 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.8 mmmt -61.0 -47.88 84.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.5 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -54.4 -45.59 72.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.463 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.0 mt -64.94 -43.41 92.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.545 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -56.7 -45.23 81.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.513 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.33 -49.43 77.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.613 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 68.1 mt -55.7 -45.78 79.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.606 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.8 m -63.89 -43.53 95.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.406 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.44 -47.69 81.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.466 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.9 m -58.27 -50.49 73.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.648 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.7 t -61.09 -32.04 51.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.91 -40.8 51.12 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.841 ' CE2' HD11 ' A' ' 18' ' ' ILE . 65.5 t80 -72.32 -31.41 65.65 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.33 -36.36 63.33 Favored Glycine 0 CA--C 1.52 0.358 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.438 ' O ' ' OG ' ' A' ' 20' ' ' SER . 44.6 mt -70.45 -36.02 64.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.307 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 mp -65.26 -41.75 93.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.629 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.841 HD11 ' CE2' ' A' ' 14' ' ' PHE . 78.5 mt -62.53 -41.27 91.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.412 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.684 ' O ' HG23 ' A' ' 23' ' ' VAL . 18.5 t80 -62.68 -44.24 96.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.406 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -66.49 -41.35 89.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.38 -40.27 77.81 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 120.882 0.372 . . . . 0.0 110.551 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 30.9 mt -69.64 -34.6 62.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.677 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 19' ' ' PHE . 61.5 t -70.81 -50.29 44.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.457 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 88.1 m -63.22 -34.95 78.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.643 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -63.34 -48.63 77.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.507 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 79.6 m -58.45 -36.52 73.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.273 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.1 mt -70.26 -43.11 78.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.596 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -52.37 -41.34 63.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.543 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.598 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -71.26 -43.88 66.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.791 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.452 ' O ' HD13 ' A' ' 34' ' ' LEU . 20.6 mttm -60.73 -22.87 64.45 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.517 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.03 -32.65 17.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.999 0.428 . . . . 0.0 110.915 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -71.73 -21.67 61.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.796 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 29' ' ' ALA . 88.9 t -72.18 -18.8 19.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.436 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.654 ' N ' HD12 ' A' ' 34' ' ' LEU . 8.2 mp -101.62 -55.69 2.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.129 0.49 . . . . 0.0 110.968 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.415 ' O ' ' O ' ' A' ' 36' ' ' ILE . 41.7 m-85 -79.98 26.7 0.33 Allowed 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.058 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.516 HG22 ' N ' ' A' ' 37' ' ' ALA . 96.3 mt -38.97 -92.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.436 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.539 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -101.4 161.9 22.16 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.766 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.539 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 74.7 Cg_exo -40.16 144.3 0.4 Allowed 'Trans proline' 0 C--N 1.313 -1.333 0 C-N-CA 122.747 2.298 . . . . 0.0 112.293 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.407 ' HB3' HH11 ' A' ' 39' ' ' ARG . 0.0 OUTLIER -75.85 151.89 37.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.392 179.818 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.21 162.7 21.79 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.802 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -41.06 140.16 1.3 Allowed 'Trans proline' 0 C--N 1.31 -1.495 0 C-N-CA 122.669 2.246 . . . . 0.0 112.149 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.72 -37.19 3.87 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.22 154.23 1.72 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.769 0.319 . . . . 0.0 110.588 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 73.9 t -92.97 118.31 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.88 156.73 39.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.538 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 19.8 t80 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.594 179.957 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.3 m -57.76 -43.17 85.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.562 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -62.28 -47.36 84.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.523 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -55.53 -47.05 76.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.641 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.2 mt -59.91 -47.81 84.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.597 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -59.67 -41.07 89.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.634 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.62 -47.8 84.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.6 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 24.8 mt -65.32 -36.3 77.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.664 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 59.2 m -62.98 -47.12 84.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.506 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 tp -59.4 -37.99 79.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.517 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.5 m -60.01 -53.95 51.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.592 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.6 t -60.27 -31.45 48.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.534 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.22 -46.57 57.09 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -70.61 -31.01 67.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.974 0.416 . . . . 0.0 110.378 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.97 -36.33 73.01 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 48.6 mt -72.56 -36.52 54.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.568 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tp -63.79 -44.14 94.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.563 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.6 mm -62.76 -41.67 93.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.745 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.446 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -64.62 -46.32 83.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.589 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -61.83 -41.3 97.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.542 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 tt -58.86 -39.89 82.7 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 120.851 0.358 . . . . 0.0 110.59 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.6 mm -64.81 -36.84 78.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.695 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 19' ' ' PHE . 58.4 t -65.19 -49.12 80.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.43 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 53.7 m -64.15 -31.61 72.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.554 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -68.35 -51.05 48.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.622 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 67.2 m -58.24 -33.55 69.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.49 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 67.7 mt -70.7 -50.12 46.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.528 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.401 ' O ' ' OD2' ' A' ' 32' ' ' ASP . 42.4 m-20 -47.16 -48.27 23.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.007 0.432 . . . . 0.0 110.548 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.435 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -61.53 -52.14 65.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.686 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.8 mmtm -57.88 -21.85 45.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.513 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.13 -35.42 18.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.27 0.557 . . . . 0.0 110.704 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.455 ' C ' ' H ' ' A' ' 34' ' ' LEU . 52.4 m-20 -69.54 -29.38 66.96 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.804 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.566 ' O ' HG12 ' A' ' 33' ' ' VAL . 76.7 t -56.72 -6.91 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.328 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.665 ' N ' HD12 ' A' ' 34' ' ' LEU . 7.3 mp -92.27 -49.1 6.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.791 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -77.67 -3.32 40.43 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.697 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.76 HG22 ' N ' ' A' ' 37' ' ' ALA . 86.0 mt -108.5 -113.55 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.657 179.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.76 ' N ' HG22 ' A' ' 36' ' ' ILE . . . -99.19 161.64 24.06 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.641 -179.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.597 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 37.5 Cg_endo -70.17 -167.57 0.25 Allowed 'Trans proline' 0 C--N 1.3 -1.976 0 C-N-CA 122.983 2.456 . . . . 0.0 112.07 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -60.85 146.09 47.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.465 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.496 ' C ' ' H ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -114.82 162.12 25.47 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.647 -179.852 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -68.86 22.17 0.14 Allowed 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.807 2.338 . . . . 0.0 112.167 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.496 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . 70.38 -62.08 0.83 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 178.29 2.89 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.667 0.27 . . . . 0.0 110.546 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.3 t -131.17 120.59 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.467 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t -92.48 145.12 24.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.618 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 23.9 p90 . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.495 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.618 ' HB3' ' HG3' ' A' ' 4' ' ' GLU . . . . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 p -60.57 -40.07 90.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.503 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.82 -44.28 77.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.437 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.618 ' HG3' ' HB3' ' A' ' 1' ' ' ALA . 10.9 mt-10 -63.39 -44.54 94.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.526 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.9 mt -64.31 -35.78 81.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.687 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -65.92 -47.02 76.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.525 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 tp -57.94 -40.25 80.01 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.431 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 65.2 mt -62.79 -46.35 96.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.523 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 80.7 m -57.55 -47.77 81.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.402 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 mt -56.67 -47.69 79.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.574 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.8 m -56.95 -48.42 78.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.349 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.6 t -58.36 -34.8 51.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.963 0.411 . . . . 0.0 110.964 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.2 -43.06 48.68 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.757 ' CE2' HD11 ' A' ' 18' ' ' ILE . 44.6 t80 -69.57 -32.57 71.42 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.0 -38.18 74.17 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 110.639 -0.984 . . . . 0.0 110.639 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.1 mt -68.98 -33.53 59.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.94 0.4 . . . . 0.0 110.341 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 tp -65.47 -42.68 92.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.311 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.757 HD11 ' CE2' ' A' ' 14' ' ' PHE . 94.1 mt -62.58 -39.8 85.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.307 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.449 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -63.76 -46.85 83.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.348 179.884 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 t -64.54 -39.27 93.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.697 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.16 -39.43 86.38 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 120.801 0.334 . . . . 0.0 110.383 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 74.6 mt -67.32 -36.45 76.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.75 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 19' ' ' PHE . 61.7 t -71.65 -44.33 69.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.528 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 93.1 m -62.96 -31.56 72.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.473 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -71.06 -45.0 64.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.492 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 82.6 m -59.22 -35.72 74.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.4 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 71.8 mt -67.88 -46.58 81.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.535 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -56.0 -36.56 68.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.624 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.677 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -67.38 -45.66 75.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.692 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.9 mmtp -64.85 -20.76 66.58 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.536 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.16 -34.36 17.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.684 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.439 ' C ' ' H ' ' A' ' 34' ' ' LEU . 2.5 m-20 -69.16 -28.11 66.13 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.829 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 29' ' ' ALA . 65.3 t -60.24 -3.64 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.539 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.603 HD22 ' N ' ' A' ' 34' ' ' LEU . 3.7 mm? -94.14 -56.07 2.98 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 121.362 0.601 . . . . 0.0 110.98 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -80.22 -12.27 59.65 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.744 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.687 HG22 ' N ' ' A' ' 37' ' ' ALA . 40.8 mm -111.46 -123.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.466 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.687 ' N ' HG22 ' A' ' 36' ' ' ILE . . . -49.03 161.14 0.44 Allowed Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.485 -179.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.561 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 37.9 Cg_endo -69.12 175.53 7.45 Favored 'Trans proline' 0 C--N 1.308 -1.567 0 C-N-CA 122.7 2.267 . . . . 0.0 112.137 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.1 ptp85 -90.16 152.25 21.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.477 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.543 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 0.1 OUTLIER -102.81 155.45 36.54 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.52 -179.644 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.04 -41.45 22.67 Favored 'Trans proline' 0 N--CA 1.494 1.507 0 C-N-CA 122.792 2.328 . . . . 0.0 112.233 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.582 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . 66.96 4.76 29.25 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 42' ' ' GLY . . . 74.29 24.65 1.84 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.781 0.324 . . . . 0.0 110.496 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.0 t -91.34 91.88 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.552 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.9 122.64 47.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.607 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.522 -179.89 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 p -49.25 -39.05 28.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.54 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.1 mttm -67.41 -47.34 70.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.573 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -55.3 -41.85 72.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.541 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.6 mt -68.43 -41.99 79.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.557 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -60.23 -43.46 96.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.549 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -64.52 -48.37 75.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.671 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 97.9 mt -61.63 -37.83 78.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.471 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.2 m -64.24 -44.8 90.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.531 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 mt -62.25 -37.34 85.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.617 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 46.6 m -63.92 -48.94 74.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.535 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 92.1 t -66.46 -29.85 47.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.777 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.65 -43.03 45.1 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -73.72 -31.05 63.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.841 0.353 . . . . 0.0 110.224 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.68 -38.3 61.28 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 61.4 mt -70.18 -38.04 73.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.907 0.384 . . . . 0.0 110.505 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mp -63.43 -42.47 98.7 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.565 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.4 mm -62.54 -39.79 85.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.389 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.1 -47.26 87.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.445 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.78 -40.62 83.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.652 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.9 tt -52.7 -45.5 66.91 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 120.821 0.343 . . . . 0.0 110.445 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.0 mt -65.21 -41.25 91.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.491 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 50.4 t -63.3 -46.89 94.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.661 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.3 m -64.96 -33.99 77.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.621 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.407 ' CD1' ' C ' ' A' ' 25' ' ' TYR . 31.6 t80 -68.21 -48.45 65.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.541 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 64.3 m -59.49 -32.96 70.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.431 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.9 mm -67.52 -48.91 75.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.551 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.422 ' O ' ' OD2' ' A' ' 32' ' ' ASP . 79.7 m-20 -54.63 -38.57 67.0 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.357 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.14 -50.61 67.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.586 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.5 mttt -62.42 -18.72 62.33 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.454 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.66 -31.29 19.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.288 0.566 . . . . 0.0 110.648 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.422 ' OD2' ' O ' ' A' ' 28' ' ' ASN . 5.1 m-20 -73.76 -25.71 60.3 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.813 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.474 ' O ' HG12 ' A' ' 33' ' ' VAL . 37.8 t -63.52 -10.74 7.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.448 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.629 ' N ' HD12 ' A' ' 34' ' ' LEU . 6.2 mp -78.45 -51.1 10.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.072 0.463 . . . . 0.0 110.779 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -79.34 -12.89 59.92 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.991 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.716 HG22 ' N ' ' A' ' 37' ' ' ALA . 74.4 mt -104.49 -115.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.522 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.716 ' N ' HG22 ' A' ' 36' ' ' ILE . . . -48.02 162.07 0.34 Allowed Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.486 -179.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.564 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 68.1 Cg_exo -39.79 161.48 0.02 OUTLIER 'Trans proline' 0 C--N 1.31 -1.49 0 C-N-CA 122.802 2.335 . . . . 0.0 112.256 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.2 mtt85 -68.41 123.31 20.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.694 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -51.53 152.26 4.87 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.641 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -38.91 -41.63 1.8 Allowed 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 122.791 2.327 . . . . 0.0 112.299 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.55 -33.58 6.36 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -100.92 -108.33 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.81 0.338 . . . . 0.0 110.524 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.4 t -93.23 142.01 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.503 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.4 p -84.07 156.53 22.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.612 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 54.5 t80 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.533 -179.941 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.13 -46.51 80.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.587 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 50.4 mttt -55.81 -42.33 75.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.503 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.27 -50.03 73.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.839 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.1 mt -57.8 -45.84 85.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.6 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -57.11 -46.89 82.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.585 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 tp -62.13 -46.09 90.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.702 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.5 mm -59.08 -47.47 89.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.0 m -60.72 -45.77 92.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.494 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -57.18 -43.85 83.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.701 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.8 m -63.18 -45.56 91.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.606 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.99 -31.78 52.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.759 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.33 -45.49 30.19 Favored Glycine 0 CA--C 1.521 0.406 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -66.91 -32.06 73.07 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.95 -38.09 56.17 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.394 -1.082 . . . . 0.0 110.394 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 48.8 mt -70.65 -37.92 71.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.3 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.46 -42.68 99.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.2 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.2 mm -64.48 -37.22 79.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.875 0.369 . . . . 0.0 110.194 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.652 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -69.94 -45.06 68.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.71 179.697 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.12 -36.14 82.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.842 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 tt -66.49 -39.56 88.81 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 120.775 0.322 . . . . 0.0 110.763 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 70.0 mt -67.55 -33.3 61.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.468 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 19' ' ' PHE . 61.8 t -68.0 -45.14 84.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.387 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.56 HG22 HD21 ' A' ' 28' ' ' ASN . 29.1 m -66.02 -31.66 72.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.438 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -66.73 -46.28 75.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.478 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 97.2 m -60.74 -39.91 90.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.529 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 72.1 mt -65.79 -46.14 89.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.37 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.56 HD21 HG22 ' A' ' 24' ' ' THR . 67.0 m-20 -52.69 -40.63 63.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.407 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.558 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -68.36 -49.59 59.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.9 mttp -59.87 -28.02 67.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.639 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.36 -32.73 26.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.246 0.546 . . . . 0.0 110.814 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.472 ' C ' ' H ' ' A' ' 34' ' ' LEU . 5.9 m-20 -68.59 -28.92 67.36 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.761 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.621 ' O ' HG12 ' A' ' 33' ' ' VAL . 92.0 t -61.35 -0.58 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.682 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.472 ' H ' ' C ' ' A' ' 32' ' ' ASP . 91.7 mt -84.5 -57.32 3.19 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-O 121.306 0.574 . . . . 0.0 111.024 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -85.49 -15.42 42.93 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.227 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.724 HG22 ' N ' ' A' ' 37' ' ' ALA . 38.6 mm -102.17 -121.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.724 ' N ' HG22 ' A' ' 36' ' ' ILE . . . -48.41 161.17 0.4 Allowed Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.784 -179.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.552 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 55.9 Cg_exo -39.74 153.11 0.06 OUTLIER 'Trans proline' 0 C--N 1.311 -1.406 0 C-N-CA 122.695 2.263 . . . . 0.0 112.206 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -60.64 153.82 22.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.542 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.04 162.28 2.02 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.682 -179.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -40.58 -38.8 2.69 Favored 'Trans proline' 0 C--N 1.311 -1.417 0 C-N-CA 122.784 2.323 . . . . 0.0 112.191 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.72 29.7 15.27 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.657 ' O ' HG23 ' A' ' 44' ' ' VAL . . . 61.79 35.2 16.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 118.113 -0.946 . . . . 0.0 111.76 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 43' ' ' ALA . 84.3 t 114.88 120.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.298 0 O-C-N 125.123 1.515 . . . . 0.0 110.138 179.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.5 m -71.44 111.2 6.57 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.709 -0.397 . . . . 0.0 110.297 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 25.1 t80 . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 117.934 -1.032 . . . . 0.0 110.58 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 p -54.3 -36.89 64.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.389 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -63.67 -47.13 82.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.436 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -52.72 -50.68 62.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.458 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.6 mt -61.98 -43.81 98.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.555 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -61.22 -38.74 87.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.415 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.45 -42.97 99.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.568 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.476 ' O ' HG23 ' A' ' 12' ' ' VAL . 63.1 mt -66.26 -39.52 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.556 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 58.1 m -62.49 -48.41 79.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.498 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.99 -45.62 75.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.499 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.6 m -65.15 -46.34 81.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.591 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 8' ' ' ILE . 79.2 t -61.66 -30.49 48.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.642 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.7 -46.61 30.16 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.78 ' CE2' HD11 ' A' ' 18' ' ' ILE . 59.0 t80 -68.6 -31.81 71.25 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.877 0.37 . . . . 0.0 110.159 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.87 -35.63 61.64 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.5 mm -69.85 -37.12 72.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.129 0.49 . . . . 0.0 110.766 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.68 -44.44 93.7 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.442 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.78 HD11 ' CE2' ' A' ' 14' ' ' PHE . 86.9 mt -59.78 -42.77 89.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.453 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.51 -45.42 94.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.578 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.6 m -64.39 -43.03 95.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.654 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.1 tt -56.35 -41.26 75.81 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 120.83 0.348 . . . . 0.0 110.42 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.4 mt -64.13 -39.17 84.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.629 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.2 t -64.5 -50.62 75.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.593 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 88.1 m -64.3 -32.39 73.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.463 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -67.87 -44.59 76.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.556 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 74.8 m -63.24 -31.38 72.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.543 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.0 mt -71.65 -44.91 69.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.591 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.19 -28.42 70.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.614 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.22 -50.36 12.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.644 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.44 -21.3 65.31 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.7 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.4 -10.82 12.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.698 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -87.31 0.46 55.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.64 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.551 ' C ' HD22 ' A' ' 34' ' ' LEU . 45.6 t -99.62 -21.13 5.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.491 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.58 HD22 ' N ' ' A' ' 34' ' ' LEU . 3.8 mm? -101.94 -44.61 5.44 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.361 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.421 ' O ' ' O ' ' A' ' 36' ' ' ILE . 52.7 m-85 -80.35 11.55 3.53 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.124 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.578 HG22 ' N ' ' A' ' 37' ' ' ALA . 69.9 mt -38.05 -93.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.538 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.579 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -95.79 161.54 27.18 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.73 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.579 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 48.4 Cg_endo -71.03 144.26 46.83 Favored 'Trans proline' 0 C--N 1.308 -1.567 0 C-N-CA 122.742 2.294 . . . . 0.0 112.075 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.534 HH11 ' CG ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -62.35 105.33 0.6 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.58 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 43' ' ' ALA . 3.9 mm-40 -95.91 152.13 38.79 Favored Pre-proline 0 N--CA 1.451 -0.414 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.788 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -38.69 120.19 0.47 Allowed 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 123.008 2.472 . . . . 0.0 112.095 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.52 -32.1 2.38 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 40' ' ' GLU . . . 42.06 67.55 0.57 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.634 0.254 . . . . 0.0 110.554 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.2 t -116.25 110.13 30.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.648 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.6 m -43.64 112.04 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.561 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.238 -0.886 . . . . 0.0 110.593 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.64 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.91 -2.3 2.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.57 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 37.8 tttm -62.99 -39.49 94.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.543 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -60.43 -52.83 63.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.608 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 mt -58.19 -42.57 86.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.603 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -60.15 -48.67 80.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.563 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 mt -60.61 -41.29 94.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.565 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.405 ' O ' HG23 ' A' ' 12' ' ' VAL . 60.7 mt -60.65 -46.62 95.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.612 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.4 m -61.14 -40.73 94.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.599 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 tp -60.52 -43.88 96.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.64 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.1 m -65.84 -39.28 90.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.539 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 8' ' ' ILE . 76.3 t -64.09 -32.73 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.553 179.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.16 -44.41 53.69 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.88 ' CE2' HD11 ' A' ' 18' ' ' ILE . 62.6 t80 -69.96 -33.03 71.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.753 0.311 . . . . 0.0 110.515 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.26 -37.9 63.12 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 57.1 mt -69.42 -36.08 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.8 0.334 . . . . 0.0 110.498 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.11 -39.65 90.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.494 179.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.88 HD11 ' CE2' ' A' ' 14' ' ' PHE . 76.6 mt -64.08 -42.28 95.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.576 179.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -62.55 -44.97 95.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.575 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 t -64.82 -43.75 92.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.542 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.5 tt -55.84 -39.4 71.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.636 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 64.7 mt -66.74 -39.8 84.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.565 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.6 t -68.33 -40.14 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.562 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.3 m -68.42 -30.8 69.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.551 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -67.56 -47.53 69.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.567 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 80.8 m -62.18 -36.83 83.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.547 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.4 mt -68.94 -46.59 78.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.522 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -52.16 -38.42 57.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.607 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.32 -52.49 22.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.534 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.542 ' O ' HG12 ' A' ' 33' ' ' VAL . 76.9 mttt -52.77 -22.27 5.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.509 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.94 -48.88 7.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.573 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -61.84 -22.47 65.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.574 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.542 HG12 ' O ' ' A' ' 30' ' ' LYS . 3.4 p -53.77 -19.31 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.49 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 81.1 mt -74.1 -49.98 21.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.522 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -77.2 -8.65 57.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.531 -178.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.7 mt -102.58 -76.7 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.583 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.504 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -93.4 159.33 35.37 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.595 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.504 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 65.1 Cg_exo -38.53 162.61 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.8 2.333 . . . . 0.0 112.144 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -102.48 148.54 25.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.541 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.54 ' CD ' ' N ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -107.79 164.65 14.31 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.518 179.537 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -42.63 134.44 5.06 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.807 2.338 . . . . 0.0 112.141 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.1 -39.47 2.83 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.69 57.31 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.72 0.295 . . . . 0.0 110.533 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.2 t -93.19 133.89 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.527 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -44.0 132.02 5.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.539 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 10.5 t80 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.597 179.693 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 t -63.66 -52.49 60.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.518 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -56.95 -36.65 70.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.641 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -64.63 -55.72 18.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.4 mt -57.71 -35.52 70.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.666 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.06 -48.18 82.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.378 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.7 mp -57.09 -42.4 80.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.212 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.6 mm -62.07 -38.72 81.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.448 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 49.2 m -58.22 -48.09 81.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.253 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 mp -63.68 -37.81 88.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.57 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.3 m -62.74 -53.43 54.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.403 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.3 t -57.29 -33.7 44.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.923 0.392 . . . . 0.0 110.852 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.57 -45.62 52.45 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.484 ' CZ ' HD11 ' A' ' 18' ' ' ILE . 78.6 t80 -70.34 -30.94 68.03 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.851 0.358 . . . . 0.0 110.165 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.18 -37.82 63.48 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 56.9 mt -70.69 -36.3 64.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.941 0.401 . . . . 0.0 110.664 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.9 tp -65.16 -47.35 77.33 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.856 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.484 HD11 ' CZ ' ' A' ' 14' ' ' PHE . 3.8 mm -59.32 -41.48 84.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.593 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.553 ' O ' HG23 ' A' ' 23' ' ' VAL . 82.0 t80 -65.04 -42.49 94.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.37 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.56 -39.44 91.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.654 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 tt -59.51 -41.71 90.54 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 120.725 0.298 . . . . 0.0 110.64 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 88.2 mt -66.24 -37.46 79.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.789 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 19' ' ' PHE . 95.4 t -63.54 -51.92 64.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.482 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 94.5 m -60.35 -32.28 71.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.393 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -65.74 -46.93 77.0 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.361 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.7 m -57.04 -36.93 71.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.189 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.0 mm -72.47 -54.6 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.709 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -48.16 -43.7 31.79 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.605 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.688 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -62.57 -49.64 74.47 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.99 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.8 mmtm -59.48 -27.35 66.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.805 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.49 -21.88 26.75 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.132 0.492 . . . . 0.0 110.926 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -82.8 -24.94 33.16 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.11 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 29' ' ' ALA . 45.0 t -66.51 -25.82 36.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.485 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.614 HD22 ' N ' ' A' ' 34' ' ' LEU . 3.7 mm? -93.99 -56.29 2.92 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 121.131 0.491 . . . . 0.0 110.971 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -79.46 31.59 0.23 Allowed 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.125 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.553 HG22 ' N ' ' A' ' 37' ' ' ALA . 50.5 mt -39.73 -91.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.381 179.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.597 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -65.97 162.19 48.15 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.577 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.597 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 53.1 Cg_exo -41.63 156.29 0.07 OUTLIER 'Trans proline' 0 C--N 1.309 -1.54 0 C-N-CA 122.872 2.381 . . . . 0.0 112.155 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -91.21 140.64 29.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.63 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -92.22 149.92 39.36 Favored Pre-proline 0 N--CA 1.45 -0.471 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.851 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.91 -60.25 0.12 Allowed 'Trans proline' 0 C--N 1.309 -1.545 0 C-N-CA 122.759 2.306 . . . . 0.0 112.439 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.86 56.88 3.18 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -170.45 27.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.816 0.341 . . . . 0.0 110.551 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.7 t -93.95 124.15 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.641 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.3 p -84.3 151.7 24.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.562 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.62 -179.95 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.48 -40.63 80.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.543 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -64.0 -29.9 71.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.382 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.13 -49.66 41.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.447 179.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.7 mt -57.86 -34.42 69.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.561 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -71.37 -35.19 71.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.537 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 tp -63.6 -41.75 98.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.399 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 34.9 mt -65.66 -48.14 83.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.671 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.5 m -57.15 -43.76 82.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.411 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -64.06 -41.18 97.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.3 m -59.96 -46.87 88.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.525 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 87.1 t -61.66 -33.97 59.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.779 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.51 -43.65 76.38 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -71.42 -31.49 67.3 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.837 0.351 . . . . 0.0 110.165 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.33 -37.51 59.04 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.641 -0.983 . . . . 0.0 110.641 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 49.5 mt -68.61 -35.93 72.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.888 0.375 . . . . 0.0 110.306 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.1 -46.03 82.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.628 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.3 mm -61.47 -40.09 85.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.637 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -61.89 -46.69 88.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.599 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.4 p -65.58 -41.2 93.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.619 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.0 tt -55.29 -42.12 73.23 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.358 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 93.3 mt -64.32 -41.81 93.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.586 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 78.4 t -66.83 -47.53 82.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.505 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.5 m -62.06 -32.71 73.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.485 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -65.51 -49.0 70.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.567 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 91.0 m -62.59 -32.91 73.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.631 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 74.4 mt -70.93 -44.15 76.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.597 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.413 ' O ' ' OD1' ' A' ' 32' ' ' ASP . 1.6 m120 -54.16 -44.49 71.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.449 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.753 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -65.76 -44.03 87.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.635 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.8 mmtm -63.13 -25.18 68.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.61 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.79 -22.59 23.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.703 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 28' ' ' ASN . 4.1 m-20 -84.59 -19.64 32.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.877 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 29' ' ' ALA . 99.4 t -72.12 -24.13 22.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.429 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.689 ' N ' HD12 ' A' ' 34' ' ' LEU . 7.7 mp -98.12 -55.2 2.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.707 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.419 ' O ' ' O ' ' A' ' 36' ' ' ILE . 49.1 m-85 -79.63 29.58 0.25 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.836 179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.419 ' O ' ' O ' ' A' ' 35' ' ' PHE . 76.2 mt -40.6 -93.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.461 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.563 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -89.93 161.25 38.89 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.514 179.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.563 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 46.2 Cg_endo -70.75 149.09 60.02 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.924 2.416 . . . . 0.0 112.021 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -98.83 137.76 36.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.62 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.51 162.13 21.4 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.618 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -70.81 113.65 3.61 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.814 2.343 . . . . 0.0 111.936 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.49 -14.29 32.81 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.65 105.63 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.808 0.337 . . . . 0.0 110.577 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.0 t -66.16 121.4 15.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.498 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.84 120.4 5.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.552 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 56.2 t80 . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.932 -1.032 . . . . 0.0 110.568 -179.887 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.1 -4.83 2.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.537 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -59.76 -33.48 71.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.562 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.38 -56.27 22.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.519 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 84.4 mt -58.7 -35.33 72.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.569 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -64.9 -43.09 93.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.536 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.69 -42.71 99.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.538 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.8 mt -65.18 -36.38 77.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.541 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 89.9 m -67.19 -42.26 84.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.627 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.65 -43.03 94.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.517 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.3 m -58.94 -49.77 76.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.514 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.0 t -64.78 -32.83 59.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.558 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.21 -45.15 50.87 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -69.76 -32.0 70.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.833 0.349 . . . . 0.0 110.618 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.48 -36.84 69.05 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.0 mt -71.67 -36.85 60.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.763 0.316 . . . . 0.0 110.473 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.19 -42.66 96.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.565 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.5 mm -63.05 -42.76 97.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.587 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.527 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -65.44 -41.13 93.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.6 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.5 m -68.09 -37.82 81.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.626 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.5 tt -60.43 -40.76 92.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.497 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.0 -39.24 77.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.642 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 19' ' ' PHE . 89.3 t -68.49 -43.46 83.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.581 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.3 m -64.21 -31.98 73.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.654 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -69.86 -43.77 71.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.569 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.0 m -63.54 -30.44 71.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.503 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.3 mt -75.58 -44.78 40.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.547 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -59.21 -34.94 72.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.541 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.14 -49.84 16.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.537 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.3 mtpt -60.73 -20.31 60.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.517 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.25 -12.79 31.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.536 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -56.11 -35.46 67.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.6 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.5 t -67.84 -26.84 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.568 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.652 HD22 ' N ' ' A' ' 34' ' ' LEU . 3.7 mm? -81.37 -32.02 33.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.492 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -79.78 -18.72 50.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.604 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.6 mt -96.7 -71.84 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.605 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.514 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -81.85 159.49 65.9 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.577 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.514 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 37.6 Cg_endo -68.11 -168.81 0.22 Allowed 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.793 2.328 . . . . 0.0 112.087 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.2 mtm180 -95.94 119.68 34.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.482 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -106.66 160.73 25.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.592 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -39.19 111.03 0.11 Allowed 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.796 2.331 . . . . 0.0 112.118 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.35 -23.55 9.68 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.39 144.8 19.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.812 0.339 . . . . 0.0 110.548 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 87.2 t -96.08 126.95 48.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.514 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 30.3 p -59.58 109.17 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.524 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.582 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.3 t -53.61 -52.98 58.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.565 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.55 -41.26 97.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.775 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -61.4 -45.17 95.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.685 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.7 mt -68.23 -44.52 75.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.488 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -59.55 -40.06 86.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.3 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mt -60.56 -45.07 95.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.588 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 65.3 mt -56.79 -50.61 74.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.7 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 86.7 m -59.3 -44.98 92.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.518 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -58.93 -45.11 91.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.597 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.1 m -60.17 -53.73 54.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.366 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.4 t -60.59 -27.12 39.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.106 0.479 . . . . 0.0 110.549 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.59 -50.12 27.14 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.405 ' CZ ' HD11 ' A' ' 18' ' ' ILE . 89.9 t80 -66.15 -31.71 72.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.877 0.37 . . . . 0.0 110.034 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.5 -38.58 44.07 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.7 mm -64.69 -38.85 83.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.094 0.473 . . . . 0.0 110.601 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.15 -49.87 58.24 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.611 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.405 HD11 ' CZ ' ' A' ' 14' ' ' PHE . 3.5 mm -55.55 -41.7 65.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.62 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.618 ' O ' HG23 ' A' ' 23' ' ' VAL . 2.0 m-85 -65.5 -44.52 86.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.55 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 t -64.42 -37.09 86.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.4 tp -64.12 -40.0 95.24 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 120.859 0.361 . . . . 0.0 110.579 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 88.7 mt -67.97 -31.39 51.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 19' ' ' PHE . 58.8 t -72.56 -46.93 53.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.634 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 94.9 m -64.84 -31.7 73.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.61 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -69.14 -50.63 46.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.824 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 68.3 m -57.12 -33.79 67.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.47 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 65.8 mt -70.05 -44.65 78.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.412 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.592 HD22 ' N ' ' A' ' 28' ' ' ASN . 0.8 OUTLIER -61.29 -24.71 66.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.455 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.23 -41.98 16.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.726 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -67.4 -19.22 65.37 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.624 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.75 -10.02 54.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.782 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -81.05 -11.65 59.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.713 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.469 ' C ' HD12 ' A' ' 34' ' ' LEU . 69.4 t -90.06 -16.99 8.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.303 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.676 ' N ' HD12 ' A' ' 34' ' ' LEU . 7.6 mp -96.08 -57.3 2.38 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 121.137 0.494 . . . . 0.0 110.806 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.572 ' O ' ' N ' ' A' ' 37' ' ' ALA . 53.3 m-85 -85.63 6.25 28.25 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.317 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.8 mt 59.05 -68.45 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 O-C-N 123.918 0.761 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.572 ' N ' ' O ' ' A' ' 35' ' ' PHE . . . -97.85 159.36 31.1 Favored Pre-proline 0 C--N 1.315 -0.926 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.834 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.523 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 35.2 Cg_endo -66.49 154.92 72.55 Favored 'Trans proline' 0 C--N 1.31 -1.487 0 C-N-CA 122.877 2.385 . . . . 0.0 112.052 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -112.67 148.98 33.53 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.533 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -60.93 153.46 65.17 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.61 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.52 -67.31 0.04 OUTLIER 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.575 2.183 . . . . 0.0 112.191 179.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.432 ' C ' ' N ' ' A' ' 44' ' ' VAL . . . 52.15 24.2 14.54 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 48.68 15.17 0.08 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.748 0.308 . . . . 0.0 110.495 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.432 ' N ' ' C ' ' A' ' 42' ' ' GLY . 90.2 t -60.1 129.57 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.401 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.8 t -88.6 133.19 34.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.463 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.719 179.779 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 4' ' ' GLU . . . . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.1 m -38.15 -32.53 0.07 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.562 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -64.35 -47.46 79.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.54 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 1' ' ' ALA . 25.8 mt-10 -60.15 -40.72 90.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.416 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.554 HD22 ' N ' ' A' ' 5' ' ' LEU . 3.9 mm? -64.51 -37.21 86.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.749 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -62.65 -44.83 95.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.45 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.7 -50.01 75.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.601 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 81.0 mt -58.33 -44.13 87.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.394 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.3 m -56.55 -52.88 63.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.592 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 mt -56.47 -43.81 79.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.651 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 43.5 m -61.87 -47.93 82.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.498 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.03 -34.34 56.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.997 0.427 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.45 -50.48 31.82 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -64.56 -32.42 74.06 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.878 0.371 . . . . 0.0 110.108 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.47 -37.31 58.57 Favored Glycine 0 CA--C 1.52 0.358 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mm -69.58 -37.24 74.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.115 0.483 . . . . 0.0 110.742 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mt -64.48 -43.93 92.61 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.558 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.4 mm -62.52 -40.22 87.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.54 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 19' ' ' PHE . 1.8 t80 -66.01 -45.38 81.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.542 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.86 -37.61 86.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.743 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.34 -39.14 92.13 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 120.845 0.355 . . . . 0.0 110.445 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 64.9 mt -65.26 -40.21 87.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.548 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 67.7 t -67.68 -50.9 56.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.399 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.471 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 99.4 m -56.23 -32.06 64.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.418 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -66.37 -52.61 45.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.619 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.4 m -55.94 -31.41 62.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.593 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 80.8 mt -72.91 -45.73 54.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.529 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.471 ' ND2' ' O ' ' A' ' 24' ' ' THR . 44.7 m-80 -57.16 -36.08 70.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.551 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.66 -50.86 22.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.73 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -56.99 -27.3 61.38 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.621 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.61 -11.82 55.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.032 0.444 . . . . 0.0 110.797 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -59.89 -32.25 70.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.619 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -66.83 -29.73 47.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.389 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.624 HD22 ' N ' ' A' ' 34' ' ' LEU . 3.6 mm? -77.79 -33.82 52.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.331 0.586 . . . . 0.0 110.765 -179.559 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -79.71 -22.17 43.7 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.66 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.1 mt -92.35 -76.29 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.551 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.58 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -60.59 161.85 13.27 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.581 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.58 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 69.4 Cg_exo -39.8 148.24 0.16 Allowed 'Trans proline' 0 C--N 1.309 -1.531 0 C-N-CA 122.661 2.241 . . . . 0.0 112.16 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.8 mtt85 -95.59 144.46 26.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.603 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.44 ' C ' ' H ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -106.96 162.17 20.54 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.668 -179.911 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -70.2 16.29 0.24 Allowed 'Trans proline' 0 C--N 1.308 -1.592 0 C-N-CA 122.651 2.234 . . . . 0.0 112.105 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.44 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . 50.5 21.81 4.9 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 44.15 43.95 6.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.922 0.391 . . . . 0.0 110.654 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 72.0 t -88.68 110.84 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.495 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.85 148.58 25.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.452 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.085 -0.959 . . . . 0.0 110.5 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.495 ' C ' ' H ' ' A' ' 3' ' ' LYS . . . . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.51 -2.13 0.19 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.558 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.495 ' H ' ' C ' ' A' ' 1' ' ' ALA . 12.6 ptmt -52.58 -37.13 57.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.563 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.59 -49.42 48.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.528 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.1 mt -58.58 -32.02 68.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.539 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -71.03 -44.03 66.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.496 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 tp -62.06 -38.96 90.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.552 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.644 ' O ' HG23 ' A' ' 12' ' ' VAL . 96.6 mt -65.59 -44.39 93.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.601 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.7 m -59.36 -41.63 89.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.593 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.84 -40.69 98.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.517 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.7 m -65.09 -40.64 94.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.576 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 8' ' ' ILE . 58.4 t -61.78 -36.58 74.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.598 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.87 -46.77 51.17 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.731 ' CE2' HD11 ' A' ' 18' ' ' ILE . 61.3 t80 -68.79 -30.5 69.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.77 0.319 . . . . 0.0 110.544 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.0 -35.63 61.21 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.2 mt -73.43 -34.24 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.786 0.326 . . . . 0.0 110.567 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.14 -46.61 86.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.531 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.731 HD11 ' CE2' ' A' ' 14' ' ' PHE . 86.0 mt -62.82 -39.56 85.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.603 179.369 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -64.84 -44.28 90.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.518 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.9 p -68.49 -34.37 75.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.612 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 tt -62.54 -40.78 97.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.566 179.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 74.4 mt -66.05 -38.0 81.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.625 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.6 t -64.15 -49.99 78.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.572 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 52.0 m -62.96 -34.18 76.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.529 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -64.69 -47.9 76.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.534 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 88.4 m -59.0 -36.86 75.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.4 mm -63.78 -57.72 10.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.525 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -50.46 -37.82 40.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.618 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.726 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -64.25 -55.65 20.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.547 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.6 mmtt -48.31 -34.74 11.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.445 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.42 -35.45 63.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.618 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -78.8 -4.65 50.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.617 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 29' ' ' ALA . 42.5 t -97.49 -40.84 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.546 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.594 ' N ' HD12 ' A' ' 34' ' ' LEU . 9.5 mp -93.43 -55.51 3.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.513 179.154 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.43 ' O ' ' C ' ' A' ' 36' ' ' ILE . 40.4 m-85 -83.61 31.9 0.47 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.533 -179.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 35' ' ' PHE . 29.1 mt -36.75 -88.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.637 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.576 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -59.65 161.88 10.23 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.661 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.576 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 43.8 Cg_endo -70.6 -170.86 0.48 Allowed 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.828 2.352 . . . . 0.0 112.198 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.0 mtp180 -78.53 118.62 20.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.551 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.11 161.59 22.36 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.522 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -39.12 138.61 0.61 Allowed 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.812 2.341 . . . . 0.0 112.139 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.77 -49.05 1.2 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.41 -18.53 63.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.811 0.339 . . . . 0.0 110.561 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.4 t -74.62 102.74 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.598 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -51.26 157.03 1.02 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.629 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.599 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 p 47.22 19.45 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.516 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.1 tttm -61.28 -41.79 97.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.576 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -60.77 -51.49 69.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.628 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.9 mt -57.87 -43.88 86.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.513 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -64.47 -39.88 94.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.57 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 tt -61.44 -46.99 87.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.54 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.547 ' O ' HG23 ' A' ' 12' ' ' VAL . 91.0 mt -60.78 -39.87 83.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.431 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.5 m -57.32 -50.73 71.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.509 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 mp -56.36 -41.74 76.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.547 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 95.2 m -58.75 -47.27 85.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.547 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 8' ' ' ILE . 21.5 t -66.77 -29.33 46.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.999 0.428 . . . . 0.0 110.881 -179.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.88 -45.19 34.53 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -72.71 -32.07 65.46 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.975 0.417 . . . . 0.0 109.925 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.72 -36.81 75.83 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.0 mm -71.94 -35.13 53.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.14 0.495 . . . . 0.0 110.699 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 mt -63.96 -41.29 97.61 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.553 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mm -67.05 -39.21 82.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.458 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -62.11 -46.68 87.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.297 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 71.8 p -67.5 -44.0 79.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.051 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.29 -41.31 68.75 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 120.959 0.409 . . . . 0.0 110.333 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 54.6 mt -65.85 -39.92 86.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.719 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.3 t -69.92 -43.45 79.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.61 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.568 HG22 ' OD1' ' A' ' 28' ' ' ASN . 59.5 m -63.55 -31.96 73.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.266 179.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -65.5 -51.21 61.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.369 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 94.8 m -61.08 -37.22 81.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.428 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 79.2 mt -67.91 -46.8 81.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.605 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.568 ' OD1' HG22 ' A' ' 24' ' ' THR . 22.9 m120 -54.16 -38.89 66.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.575 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.625 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -66.19 -47.79 72.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.749 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -62.23 -25.02 67.58 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.409 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.02 -39.19 17.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.733 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -60.07 -30.67 69.38 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.83 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 29' ' ' ALA . 72.5 t -55.12 -18.9 4.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.585 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.8 mt -74.77 -47.19 32.3 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.113 0.482 . . . . 0.0 111.007 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -77.86 -11.26 59.87 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.66 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.0 mt -100.78 -74.78 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.325 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.573 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -97.12 161.67 25.43 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.705 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.573 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 47.3 Cg_endo -70.36 164.87 33.56 Favored 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 122.785 2.324 . . . . 0.0 112.306 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -63.81 148.59 48.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.519 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -55.13 148.23 31.02 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.653 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -68.61 3.19 2.38 Favored 'Trans proline' 0 N--CA 1.494 1.554 0 C-N-CA 122.456 2.104 . . . . 0.0 112.246 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 58.63 10.18 7.75 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 63.78 175.32 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.721 0.296 . . . . 0.0 110.659 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 98.7 t -49.87 98.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.575 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 37.1 p -90.73 115.32 27.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.577 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 34.3 p90 . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 117.929 -1.034 . . . . 0.0 110.503 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t -51.34 -54.89 21.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.496 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -59.78 -44.45 93.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.546 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -55.93 -47.89 76.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.999 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.0 mt -66.08 -44.75 83.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.639 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -54.6 -43.38 72.11 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.412 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 mp -61.34 -46.13 91.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.699 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.0 mm -63.6 -39.4 85.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.715 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.3 m -63.93 -44.56 92.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.765 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.93 -41.23 97.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.824 -179.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.6 m -63.16 -48.32 78.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.739 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.9 t -67.39 -24.12 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.815 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.47 -47.78 20.71 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -76.74 -32.35 57.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.805 0.336 . . . . 0.0 110.733 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.68 -36.12 82.05 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.5 mm -72.62 -40.86 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 110.72 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.02 -44.4 91.72 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.548 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mm -64.99 -39.44 85.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.642 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.49 ' O ' HG23 ' A' ' 23' ' ' VAL . 58.6 t80 -61.89 -46.27 90.13 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.517 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.5 p -66.75 -40.52 88.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.635 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 21' ' ' LEU . 53.3 tp -59.91 -39.17 84.5 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.564 -179.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 67.7 mt -67.34 -37.28 78.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.557 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 19' ' ' PHE . 91.4 t -68.53 -46.57 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.291 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.4 m -61.87 -31.64 71.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.394 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -66.58 -49.54 66.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.421 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 59.3 m -59.59 -33.54 71.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.556 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 59.5 mt -69.38 -45.72 78.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.624 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.6 -41.69 66.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.649 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.622 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -66.29 -43.67 85.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.585 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -61.68 -30.67 70.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.484 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.79 -19.78 27.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.7 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -79.79 -21.24 44.57 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.49 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 29' ' ' ALA . 72.4 t -73.25 -20.39 18.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.444 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.653 ' N ' HD12 ' A' ' 34' ' ' LEU . 7.5 mp -96.42 -56.36 2.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.923 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.417 ' O ' ' C ' ' A' ' 36' ' ' ILE . 39.5 m-85 -80.8 30.61 0.31 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 35' ' ' PHE . 59.4 mt -35.59 -90.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.535 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.529 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -70.6 159.96 83.26 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.673 179.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.529 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 36.3 Cg_endo -66.9 171.66 10.8 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.715 2.277 . . . . 0.0 112.168 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -63.76 121.53 14.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.689 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -50.53 152.87 3.01 Favored Pre-proline 0 N--CA 1.453 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.716 -179.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -65.64 -15.1 47.97 Favored 'Trans proline' 0 C--N 1.308 -1.577 0 C-N-CA 122.75 2.3 . . . . 0.0 112.274 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.51 -38.97 3.06 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 61.58 123.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.815 0.34 . . . . 0.0 110.485 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 42.4 t -79.64 136.67 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.66 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.23 146.79 50.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.616 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 63.6 t80 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.556 179.898 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 p -61.02 -35.56 77.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.622 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -71.1 -35.83 71.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.585 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -66.75 -47.2 73.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.578 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 mt -60.34 -34.72 74.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.541 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -65.99 -53.09 43.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.567 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.8 mt -58.82 -42.63 89.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.544 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.424 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.3 mm -54.44 -52.33 40.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.65 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.3 m -64.59 -41.89 95.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.505 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.513 HD23 ' O ' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -54.08 -45.63 71.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.549 179.809 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 51.5 m -63.94 -46.97 82.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.537 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.437 ' O ' ' CG1' ' A' ' 16' ' ' ILE . 67.6 t -61.45 -27.4 41.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.544 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.76 -48.57 21.36 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.733 ' CE2' HD11 ' A' ' 18' ' ' ILE . 74.1 t80 -72.57 -32.73 66.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.744 0.307 . . . . 0.0 110.568 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.35 -35.85 59.86 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.437 ' CG1' ' O ' ' A' ' 12' ' ' VAL . 3.2 mm -70.7 -38.29 72.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.759 0.314 . . . . 0.0 110.532 179.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.39 -48.41 81.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.538 179.617 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.733 HD11 ' CE2' ' A' ' 14' ' ' PHE . 89.7 mt -59.91 -41.92 87.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.527 179.617 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.76 -46.64 88.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.596 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.81 -45.7 91.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.585 179.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.3 tp -55.95 -40.23 72.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.509 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.3 mm -63.55 -38.6 82.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.563 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.7 t -68.24 -44.83 83.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.595 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.0 m -64.58 -30.93 71.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.566 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -70.62 -48.05 57.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.506 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 90.7 m -60.72 -36.6 79.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.511 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.4 mt -66.11 -47.17 85.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.543 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -60.31 -43.28 96.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.558 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.578 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -58.81 -41.58 87.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.567 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.1 mmmt -69.28 -28.98 66.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.616 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.54 -21.84 38.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.56 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.545 ' O ' ' N ' ' A' ' 36' ' ' ILE . 80.9 m-20 -80.22 -36.98 34.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.56 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 29' ' ' ALA . 90.6 t -53.18 -24.75 8.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.554 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.642 ' N ' HD12 ' A' ' 34' ' ' LEU . 9.0 mp -96.25 -56.36 2.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.539 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.635 ' O ' ' N ' ' A' ' 37' ' ' ALA . 53.8 m-85 -80.53 10.89 4.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.624 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.545 ' N ' ' O ' ' A' ' 32' ' ' ASP . 11.2 mt 56.67 -72.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.602 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.635 ' N ' ' O ' ' A' ' 35' ' ' PHE . . . -99.39 160.36 27.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.65 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.557 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 42.4 Cg_endo -67.82 -167.02 0.15 Allowed 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.836 2.357 . . . . 0.0 112.094 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.43 ' O ' ' CG ' ' A' ' 39' ' ' ARG . 26.7 ptt-85 -115.98 120.93 40.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.61 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -53.91 154.53 7.23 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.448 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.1 102.79 0.69 Allowed 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.759 2.306 . . . . 0.0 112.096 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.63 13.01 61.83 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.07 113.69 0.41 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.861 0.363 . . . . 0.0 110.628 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 51.5 t -75.86 128.94 37.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.547 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.7 m -69.01 114.23 7.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.609 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.491 ' OXT' ' CG ' ' A' ' 46' ' ' TYR . 42.2 t80 . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.94 -1.029 . . . . 0.0 110.607 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.405 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 0.9 OUTLIER 75.4 -55.29 0.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.506 -179.734 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.73 -41.8 67.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.508 179.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -66.67 -45.2 79.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.613 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 mt -62.55 -38.3 89.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.509 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -60.13 -43.83 95.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.6 179.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 mt -61.78 -53.53 54.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.641 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.406 ' O ' HG23 ' A' ' 12' ' ' VAL . 59.2 mt -55.91 -37.41 47.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.657 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 59.1 m -62.58 -48.36 79.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.5 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.43 -42.49 91.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.51 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.8 m -63.94 -43.54 95.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.581 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 8' ' ' ILE . 56.0 t -63.48 -34.33 66.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.571 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.68 -45.49 52.57 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -68.51 -30.85 69.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.838 0.351 . . . . 0.0 110.579 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.47 -35.41 59.68 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.6 mt -70.13 -37.02 70.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.816 0.341 . . . . 0.0 110.608 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 17' ' ' LEU . 2.2 mm? -67.34 -45.45 76.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.534 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.5 mm -60.71 -39.06 80.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.61 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -66.94 -44.65 80.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.563 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 t -64.02 -42.03 97.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.614 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 tt -56.6 -42.23 78.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.563 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 71.9 mt -64.86 -38.58 83.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.613 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.7 t -64.07 -48.16 87.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.582 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 80.7 m -63.05 -31.94 73.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.553 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -70.8 -50.37 36.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.557 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 98.3 m -56.62 -34.27 67.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.545 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 54.2 mt -68.19 -46.06 81.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.606 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -56.58 -38.5 72.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.547 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.19 -45.37 73.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.529 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.583 ' O ' HD13 ' A' ' 34' ' ' LEU . 28.3 mmtt -63.3 -28.11 69.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.616 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.42 -16.59 32.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.581 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.525 ' C ' ' H ' ' A' ' 34' ' ' LEU . 9.8 m-20 -74.63 -49.7 20.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.406 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.551 ' O ' HG12 ' A' ' 33' ' ' VAL . 65.1 t -51.59 -7.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.558 179.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.666 ' N ' HD12 ' A' ' 34' ' ' LEU . 8.5 mp -101.39 -55.87 2.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.544 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -80.14 -4.34 52.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.624 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.64 HG22 ' N ' ' A' ' 37' ' ' ALA . 43.5 mm -116.01 -118.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.535 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.64 ' N ' HG22 ' A' ' 36' ' ' ILE . . . -53.46 162.64 1.17 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.616 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.615 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 63.0 Cg_exo -39.86 153.02 0.06 OUTLIER 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.86 2.373 . . . . 0.0 112.081 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.2 mtt85 -79.61 134.41 36.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.557 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -84.6 151.39 58.55 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.609 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.38 -4.74 12.41 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.776 2.317 . . . . 0.0 112.195 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.48 0.22 29.36 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 59.52 18.95 7.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.337 . . . . 0.0 110.592 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 69.7 t -56.18 138.11 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.572 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 76.1 p -41.97 151.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.53 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.4 t80 . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.938 -1.029 . . . . 0.0 110.518 179.927 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.475 ' C ' ' H ' ' A' ' 3' ' ' LYS . . . . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.417 ' O ' ' OE1' ' A' ' 6' ' ' GLU . 0.1 OUTLIER -59.51 -2.98 0.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.66 -179.798 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.475 ' H ' ' C ' ' A' ' 1' ' ' ALA . 10.1 mttp -66.57 -34.23 77.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.632 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.44 ' CG ' ' N ' ' A' ' 5' ' ' LEU . 7.7 pt-20 -69.72 -42.4 74.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.543 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.44 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 9.7 mt -63.38 -39.98 95.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.443 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.538 ' N ' ' OE1' ' A' ' 6' ' ' GLU . 1.3 mp0 -67.03 -42.39 84.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.536 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.28 -45.48 80.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.598 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.404 ' O ' HG23 ' A' ' 12' ' ' VAL . 67.9 mt -60.86 -46.56 96.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.663 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 59.5 m -62.07 -45.24 94.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.547 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 tp -60.24 -44.54 95.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.494 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.4 m -61.0 -43.85 98.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.382 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 8' ' ' ILE . 95.2 t -71.37 -22.22 22.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.078 0.466 . . . . 0.0 110.709 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.48 -41.82 43.21 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -74.98 -32.1 61.59 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.9 0.381 . . . . 0.0 110.112 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.19 -37.6 48.45 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.656 -0.978 . . . . 0.0 110.656 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.2 mm -69.19 -39.73 79.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.118 0.485 . . . . 0.0 110.586 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 tp -65.16 -42.44 93.73 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.337 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mm -61.26 -39.67 83.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.644 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -64.51 -44.41 91.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.527 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.21 -39.92 86.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.737 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 tt -57.46 -40.67 78.99 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 120.884 0.374 . . . . 0.0 110.515 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 57.3 mt -66.81 -40.05 85.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.742 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.7 -49.94 59.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.502 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.501 HG22 HD21 ' A' ' 28' ' ' ASN . 32.3 m -57.42 -31.88 66.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.413 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -67.34 -49.21 65.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.609 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 80.8 m -58.56 -33.08 69.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.417 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 17.2 mt -74.75 -40.65 47.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.662 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.501 HD21 HG22 ' A' ' 24' ' ' THR . 87.3 m-20 -59.53 -30.5 68.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.586 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.85 -49.0 15.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.635 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt -64.54 -19.69 65.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.554 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.69 -13.42 32.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.191 0.519 . . . . 0.0 110.615 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -58.02 -26.25 62.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.516 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.8 t -71.19 -28.36 32.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.747 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.649 HD22 ' N ' ' A' ' 34' ' ' LEU . 3.6 mm? -79.28 -33.3 43.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.332 0.587 . . . . 0.0 110.88 -179.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -79.64 -23.24 42.7 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.7 mt -93.89 -74.52 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.599 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.587 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -66.97 161.93 58.11 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.53 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.587 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 65.9 Cg_exo -39.32 145.71 0.21 Allowed 'Trans proline' 0 C--N 1.31 -1.453 0 C-N-CA 122.827 2.351 . . . . 0.0 112.18 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.4 ptt-85 -107.62 130.55 54.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.596 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.63 160.02 27.44 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.493 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -64.69 -179.77 1.06 Allowed 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.767 2.311 . . . . 0.0 112.002 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 43' ' ' ALA . . . 116.64 28.24 2.57 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 42' ' ' GLY . . . 42.71 94.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.717 0.294 . . . . 0.0 110.453 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.436 ' O ' ' O ' ' A' ' 45' ' ' SER . 51.7 t -122.41 135.79 61.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.56 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 44' ' ' VAL . 12.7 p 41.19 94.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.651 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.9 t80 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.592 179.981 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 p 64.1 5.31 2.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.672 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.9 tttt -63.63 -28.34 69.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.454 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -59.81 -53.35 58.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.734 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.8 mt -67.64 -41.05 84.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.711 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 73.5 tt0 -53.96 -42.86 69.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.522 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.91 -49.19 68.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.532 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.745 ' O ' HG23 ' A' ' 12' ' ' VAL . 97.3 mt -59.01 -37.02 65.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.475 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.1 m -65.37 -47.17 77.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.467 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 mp -59.49 -36.16 75.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.419 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 43.6 m -68.33 -47.11 68.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.512 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 8' ' ' ILE . 56.1 t -57.08 -37.83 57.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.063 0.459 . . . . 0.0 110.777 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.62 -42.75 87.47 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.696 ' CE2' HD11 ' A' ' 18' ' ' ILE . 71.6 t80 -67.25 -33.12 74.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.994 0.426 . . . . 0.0 109.911 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.97 -34.86 58.41 Favored Glycine 0 N--CA 1.463 0.494 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.8 mt -70.26 -34.64 59.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.94 0.4 . . . . 0.0 110.494 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 tp -66.8 -42.85 85.27 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.678 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.696 HD11 ' CE2' ' A' ' 14' ' ' PHE . 90.0 mt -63.06 -38.73 82.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.538 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.23 -46.12 74.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.062 0.458 . . . . 0.0 110.555 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 p -63.53 -35.9 82.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.511 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.4 tp -63.46 -42.17 98.62 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-O 120.912 0.387 . . . . 0.0 110.348 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.3 mt -66.4 -31.47 53.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.602 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.9 t -68.26 -51.71 45.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.463 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 47.3 m -63.85 -32.3 73.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.454 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -65.71 -50.85 63.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.406 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 92.2 m -58.48 -32.74 69.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.423 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 85.9 mt -71.74 -44.27 68.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.659 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -64.45 -35.58 81.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.575 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.44 -49.35 49.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.8 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -59.77 -26.2 65.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.506 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.93 -22.37 59.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.966 0.412 . . . . 0.0 110.789 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -83.42 -7.2 59.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.889 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.425 ' C ' HD22 ' A' ' 34' ' ' LEU . 48.1 t -102.97 -29.42 2.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.334 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.537 HD22 ' N ' ' A' ' 34' ' ' LEU . 3.8 mm? -94.55 -56.84 2.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.29 0.566 . . . . 0.0 111.431 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -83.35 30.1 0.48 Allowed 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.037 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.56 HG22 ' N ' ' A' ' 37' ' ' ALA . 44.5 mt -40.59 -88.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.543 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.593 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -82.48 161.77 58.15 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.66 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.593 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 38.4 Cg_endo -68.2 176.07 5.96 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 122.798 2.332 . . . . 0.0 112.183 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.6 mtp180 -93.87 139.26 31.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.415 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.488 ' CD ' ' N ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -107.38 162.98 17.97 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.576 -179.733 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -42.88 121.31 2.19 Favored 'Trans proline' 0 C--N 1.311 -1.405 0 C-N-CA 122.838 2.358 . . . . 0.0 112.159 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 48.52 48.42 28.23 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.88 136.41 6.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.841 0.353 . . . . 0.0 110.561 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.0 t -100.11 113.67 36.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.622 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.81 156.82 0.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.579 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.222 -0.382 0 CA-C-O 117.957 -1.02 . . . . 0.0 110.592 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.1 m -56.31 -47.59 78.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.435 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.42 -38.31 86.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.529 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.98 -49.76 76.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.656 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 mt -62.76 -40.47 97.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.439 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -58.09 -45.26 87.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.497 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mp -64.69 -46.84 80.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.543 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.1 mt -56.03 -39.35 57.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.596 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.9 m -66.03 -42.78 89.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.383 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.3 mt -63.37 -36.79 84.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.429 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 51.1 m -65.87 -49.1 69.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.659 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.9 t -60.73 -26.5 38.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.906 0.384 . . . . 0.0 110.947 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.37 -45.22 31.08 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 111.281 -0.728 . . . . 0.0 111.281 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -75.31 -31.19 60.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.085 0.469 . . . . 0.0 110.142 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.54 -37.75 58.06 Favored Glycine 0 CA--C 1.519 0.299 0 N-CA-C 110.594 -1.003 . . . . 0.0 110.594 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.2 mm -69.37 -41.39 80.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.057 0.456 . . . . 0.0 110.648 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.08 -48.38 81.94 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.657 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.6 mm -60.14 -39.55 80.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.047 0.451 . . . . 0.0 110.3 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -62.72 -47.5 83.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.239 0.542 . . . . 0.0 110.317 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.4 -41.09 98.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.704 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 tt -57.0 -41.68 78.88 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-O 120.877 0.37 . . . . 0.0 110.448 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 90.5 mt -62.5 -39.17 83.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.651 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.8 t -71.85 -41.41 69.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.439 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.6 m -63.56 -31.98 73.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.389 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -72.3 -42.24 65.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.338 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 88.0 m -60.9 -36.16 78.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.292 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.4 mt -66.14 -49.34 77.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.557 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -53.45 -39.54 64.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.004 0.431 . . . . 0.0 110.475 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.33 -46.6 72.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.71 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.433 ' O ' HD13 ' A' ' 34' ' ' LEU . 26.8 mtpt -62.39 -25.77 68.11 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.55 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.22 -26.06 22.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.195 0.521 . . . . 0.0 110.671 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -68.84 -34.24 75.15 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.535 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.474 ' C ' HD12 ' A' ' 34' ' ' LEU . 71.3 t -62.18 -13.97 11.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.792 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.653 ' N ' HD12 ' A' ' 34' ' ' LEU . 7.8 mp -96.71 -46.75 6.16 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.298 0.57 . . . . 0.0 110.905 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -79.58 -34.64 40.68 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.64 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.507 HG22 ' O ' ' A' ' 36' ' ' ILE . 11.9 mm -94.52 23.98 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.535 0.683 . . . . 0.0 109.485 -179.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.548 ' HB1' ' HD2' ' A' ' 38' ' ' PRO . . . -59.0 162.11 7.78 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.296 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.548 ' HD2' ' HB1' ' A' ' 37' ' ' ALA . 48.3 Cg_endo -71.44 164.19 36.56 Favored 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 122.556 2.171 . . . . 0.0 112.137 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.3 ptp180 -82.5 149.14 27.72 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.362 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.481 ' CD ' ' N ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -112.1 160.73 28.92 Favored Pre-proline 0 CA--C 1.529 0.166 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.667 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -40.62 -54.99 2.11 Favored 'Trans proline' 0 C--N 1.31 -1.488 0 C-N-CA 122.598 2.199 . . . . 0.0 112.304 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 95.39 -43.83 2.18 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -179.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.668 ' O ' HG23 ' A' ' 44' ' ' VAL . . . 60.78 106.69 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 118.938 -0.553 . . . . 0.0 110.191 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 43' ' ' ALA . 96.3 t 115.48 102.43 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 O-C-N 125.117 1.511 . . . . 0.0 110.348 179.048 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.88 114.39 21.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.915 0.388 . . . . 0.0 110.571 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.086 -0.959 . . . . 0.0 110.621 -179.964 . . . . . . . . 0 0 . 1 stop_ save_